1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium
  Marvin  07201017112D          

 18 20  0  0  0  0            999 V2000
    8.9762   -6.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9762   -7.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2617   -6.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2617   -8.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5472   -6.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5472   -7.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4051   -6.9440    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.4051   -7.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6907   -6.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6907   -8.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1196   -6.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6907   -5.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4051   -5.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4051   -4.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1196   -5.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1196   -4.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8341   -5.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8341   -4.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2  1  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18 16  2  0  0  0  0
 18 17  1  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  1   7   1
M  END
> <ID>
CHEBI:57598

> <NAME>
1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinolinium

> <DEFINITION>
Conjugate acid of 1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline arising from protonation of the tertiary amino group.

> <STAR>
3

> <SYNONYM>
N-methyl-(RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline

> <IUPAC_NAME>
1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinolinium

> <FORMULA>
C17H20N

> <MASS>
238.34740

> <MONOISOTOPIC_MASS>
238.15903

> <CHARGE>
1

> <SMILES>
C[NH+]1CCc2ccccc2C1Cc1ccccc1

> <INCHI>
InChI=1S/C17H19N/c1-18-12-11-15-9-5-6-10-16(15)17(18)13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3/p+1

> <INCHIKEY>
VKRKVLLLTIHDEF-UHFFFAOYSA-O

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