7-chloro-2-(dimethylamino)-5-phenyl-3H-1,4-benzodiazepin-4-ium-4-olate

CAS: 3693-14-9

Formula: C17H16ClN3O

SMILES: CN(C)C1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=[N+]([O-])C1

IUPAC: 7-chloro-2-(dimethylamino)-5-phenyl-3H-1,4-benzodiazepin-4-ium-4-olate

InChI: InChI=1S/C17H16ClN3O/c1-20(2)16-11-21(22)17(12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)19-16/h3-10H,11H2,1-2H3

Composition: C (65.07%), H (5.14%), Cl (11.30%), N (13.39%), O (5.10%)

Molar Mass: 313.79

Atom Count: 38

Heavy Atom Count: 22