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

Systemtic Name: N-[2-(2-ethylpiperidin-1-ium-1-yl)ethyl]-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Openeye Name: N-[2-(2-ethylpiperidin-1-ium-1-yl)ethyl]-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide CAS Name: N-[2-(2-ethyl-1-piperidin-1-iumyl)ethyl]-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide IUPAC Name: N-[2-(2-ethylpiperidin-1-ium-1-yl)ethyl]-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Traditional Name: N-[2-(2-ethylpiperidin-1-ium-1-yl)ethyl]-6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CCNC(=O)C2=CC3=C(C=C2)NC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCC1CCCC[NH+]1CCNC(=O)C2=CC3=C(C=C2)NC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H28N4O2/c1-2-17-7-5-6-13-27(17)14-12-24-22(28)16-10-11-20-21(15-16)26-23(29)18-8-3-4-9-19(18)25-20/h3-4,8-11,15,17,25H,2,5-7,12-14H2,1H3,(H,24,28)(H,26,29)/p+1