N-(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methyl-ethanamide

Systemtic Name: N-(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methyl-ethanamide Openeye Name: N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methyl-acetamide CAS Name: N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylacetamide IUPAC Name: N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylacetamide Traditional Name: N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methyl-acetamide Formula: C18H16ClN3O2 MolecularWeight: 341.79154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(=O)N(C)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H16ClN3O2/c1-12(23)21(2)17-11-22(24)18(13-6-4-3-5-7-13)15-10-14(19)8-9-16(15)20-17/h3-10H,11H2,1-2H3