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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)NC2=CC=CC(=C2)C

InChI

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