Marvin  01041116382D          

 10  9  0  0  0  0            999 V2000
   11.9795   -5.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2670   -4.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6958   -4.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9795   -5.8657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5545   -5.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1237   -5.0427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3240   -4.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6077   -5.0086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3240   -3.7730    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.8382   -4.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  6 10  1  0  0  0  0
M  CHG  1   9   1
M  END
> <ID>
CHEBI:58365

> <NAME>
4-guanidiniumylbutanamide(1+)

> <DEFINITION>
A guanidinium ion arising from protonation of the imino NH of 4-guanidinobutanamide; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
4-guanidinobutanamide; 4-guanidiniumylbutanamide cation; 4-guanidiniumylbutanamide

> <IUPAC_NAME>
amino[(4-amino-4-oxobutyl)amino]methaniminium

> <FORMULA>
C5H13N4O

> <MASS>
145.18290

> <MONOISOTOPIC_MASS>
145.10839

> <CHARGE>
1

> <SMILES>
NC(=[NH2+])NCCCC(N)=O

> <INCHI>
InChI=1S/C5H12N4O/c6-4(10)2-1-3-9-5(7)8/h1-3H2,(H2,6,10)(H4,7,8,9)/p+1

> <INCHIKEY>
YHVFECVVGNXFKO-UHFFFAOYSA-O

$$$$