2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(benzylcarbamoyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(benzylcarbamoyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(benzylcarbamoyl)acetamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-17(27)19-7-9-20(10-8-19)26-13-11-25(12-14-26)16-21(28)24-22(29)23-15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H2,23,24,28,29)/p+1