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

Systemtic Name: 7-chloranyl-N-methyl-4-oxidanidyl-5-phenyl-N-(phenylmethyl)-3H-1,4-benzodiazepin-4-ium-2-amine Openeye Name: N-benzyl-7-chloro-N-methyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine CAS Name: 7-chloro-N-methyl-4-oxido-5-phenyl-N-(phenylmethyl)-3H-1,4-benzodiazepin-4-ium-2-amine IUPAC Name: N-benzyl-7-chloro-N-methyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine Traditional Name: benzyl-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amine Formula: C23H20ClN3O MolecularWeight: 389.8774

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC3=C(C=C(C=C3)Cl)C(=[N+](C2)[O-])C4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC3=C(C=C(C=C3)Cl)C(=[N+](C2)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H20ClN3O/c1-26(15-17-8-4-2-5-9-17)22-16-27(28)23(18-10-6-3-7-11-18)20-14-19(24)12-13-21(20)25-22/h2-14H,15-16H2,1H3