Mrv0541 04131511222D          

 14 15  0  0  0  0            999 V2000
    2.1059   -5.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8510   -4.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0260   -4.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4385   -6.2623    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7711   -5.7773    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0566   -6.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0566   -7.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6578   -5.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3722   -6.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3722   -7.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6578   -7.4274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0290   -5.5605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0865   -7.4193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4421   -7.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  0  0  0  0
  6  8  1  0  0  0  0
 11  7  1  0  0  0  0
 11 10  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 12  1  1  0  0  0
 10 13  1  0  0  0  0
  4 14  1  0  0  0  0
M  CHG  1   4   1
M  END
> <ID>
CHEBI:58182

> <NAME>
(S)-6-hydroxynicotinium(1+)

> <DEFINITION>
The conjugate acid of (S)-6-hydroxynicotine; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
(S)-6-hydroxynicotinium cation; (S)-6-hydroxynicotinium; (S)-6-hydroxynicotine

> <IUPAC_NAME>
(2S)-2-(6-hydroxypyridin-3-yl)-1-methylpyrrolidinium

> <FORMULA>
C10H15N2O

> <MASS>
179.23840

> <MONOISOTOPIC_MASS>
179.11789

> <CHARGE>
1

> <SMILES>
C[NH+]1CCC[C@H]1c1ccc(O)nc1

> <INCHI>
InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/p+1/t9-/m0/s1

> <INCHIKEY>
ATRCOGLZUCICIV-VIFPVBQESA-O

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