Marvin  11081016092D          

  8  8  0  0  0  0            999 V2000
   -1.6614   -0.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3661   -1.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9395   -1.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9395   -2.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3661   -2.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6614   -2.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2260   -0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4894   -1.2917    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  CHG  1   8   1
M  END
> <ID>
CHEBI:225238

> <NAME>
benzylaminium

> <DEFINITION>
The conjugate acid of benzylamine; major product at pH 7.3.

> <STAR>
3

> <SYNONYM>
phenylmethylaminium; benzylammmonium; benzylaminium(1+); benzylaminium cation; benzylamine

> <IUPAC_NAME>
phenylmethanaminium

> <FORMULA>
C7H10N

> <MASS>
108.16100

> <MONOISOTOPIC_MASS>
108.08078

> <CHARGE>
1

> <SMILES>
[NH3+]Cc1ccccc1

> <INCHI>
InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2/p+1

> <INCHIKEY>
WGQKYBSKWIADBV-UHFFFAOYSA-O

> <BEILSTEIN_REGISTRY_NUMBER>
12297043

> <GMELIN_REGISTRY_NUMBER>
324961

> <METACYC_ACCESSION>
BENZYLAMINE

$$$$