3-chloranyl-6-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)-5H-benzo[b][1,4]benzodiazepine

Systemtic Name: 3-chloranyl-6-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-(4-methyl-4-oxido-1-piperazin-4-iumyl)-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-5H-benzo[b][1,4]benzodiazepine Formula: C18H19ClN4O MolecularWeight: 342.82266

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)[O-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)[O-]

InChI

InChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3