3-chloranyl-6-(4-methylpiperazin-1-ium-1-ylidene)-5,11-dihydrobenzo[b][1,4]benzodiazepine

Systemtic Name: 3-chloranyl-6-(4-methylpiperazin-1-ium-1-ylidene)-5,11-dihydrobenzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-(4-methylpiperazin-1-ium-1-ylidene)-5,11-dihydrobenzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-(4-methyl-1-piperazin-1-iumylidene)-5,11-dihydrobenzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-ium-1-ylidene)-5,11-dihydrobenzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-(4-methylpiperazin-1-ium-1-ylidene)-5,11-dihydrobenzo[b][1,4]benzodiazepine Formula: C18H20ClN4+ MolecularWeight: 327.8312

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](=C2C3=CC=CC=C3NC4=C(N2)C=C(C=C4)Cl)CC1

Isomeric SMILES

CN1CC[N+](=C2C3=CC=CC=C3NC4=C(N2)C=C(C=C4)Cl)CC1

InChI

InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12H,8-11H2,1H3,(H,20,21)/p+1