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

Systemtic Name: 3-chloranyl-6-piperazin-4-ium-1-yl-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-piperazin-4-ium-1-yl-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-(1-piperazin-4-iumyl)-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-piperazin-4-ium-1-yl-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-piperazin-4-ium-1-yl-5H-benzo[b][1,4]benzodiazepine Formula: C17H18ClN4+ MolecularWeight: 313.80462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl

InChI

InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19,21H,7-10H2/p+1