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

Systemtic Name: N-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Openeye Name: N-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide CAS Name: N-[2-(4-methyl-1-piperidin-1-iumyl)ethyl]-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide IUPAC Name: N-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Traditional Name: 6-keto-N-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCNC(=O)C2=CC3=C(C=C2)NC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1CC[NH+](CC1)CCNC(=O)C2=CC3=C(C=C2)NC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H26N4O2/c1-15-8-11-26(12-9-15)13-10-23-21(27)16-6-7-19-20(14-16)25-22(28)17-4-2-3-5-18(17)24-19/h2-7,14-15,24H,8-13H2,1H3,(H,23,27)(H,25,28)/p+1