6-oxidanylidene-N-(2-pyrrolidin-1-ium-1-ylethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide

Systemtic Name: 6-oxidanylidene-N-(2-pyrrolidin-1-ium-1-ylethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Openeye Name: 6-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide CAS Name: 6-oxo-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide IUPAC Name: 6-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Traditional Name: 6-keto-N-(2-pyrrolidin-1-ium-1-ylethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)C2=CC3=C(C=C2)NC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)C2=CC3=C(C=C2)NC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C20H22N4O2/c25-19(21-9-12-24-10-3-4-11-24)14-7-8-17-18(13-14)23-20(26)15-5-1-2-6-16(15)22-17/h1-2,5-8,13,22H,3-4,9-12H2,(H,21,25)(H,23,26)/p+1