N-(3-methylphenyl)-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(isopropylamino)-2-oxo-ethyl]-N-(m-tolyl)piperazin-4-ium-1-carboxamide CAS Name: N-(3-methylphenyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-methylphenyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(isopropylamino)-2-keto-ethyl]-N-(m-tolyl)piperazin-4-ium-1-carboxamide Formula: C17H27N4O2+ MolecularWeight: 319.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CC[NH+](CC2)CC(=O)NC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CC[NH+](CC2)CC(=O)NC(C)C

InChI

InChI=1S/C17H26N4O2/c1-13(2)18-16(22)12-20-7-9-21(10-8-20)17(23)19-15-6-4-5-14(3)11-15/h4-6,11,13H,7-10,12H2,1-3H3,(H,18,22)(H,19,23)/p+1