N-(4-methylphenyl)-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-methylphenyl)-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(benzylamino)-2-oxo-ethyl]-N-(p-tolyl)piperazin-4-ium-1-carboxamide CAS Name: N-(4-methylphenyl)-4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(benzylamino)-2-oxoethyl]-N-(4-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(benzylamino)-2-keto-ethyl]-N-(p-tolyl)piperazin-4-ium-1-carboxamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2/c1-17-7-9-19(10-8-17)23-21(27)25-13-11-24(12-14-25)16-20(26)22-15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,22,26)(H,23,27)/p+1