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

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(benzylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H24N5O4+ MolecularWeight: 398.43566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4/c26-19(22-20(27)21-14-16-4-2-1-3-5-16)15-23-10-12-24(13-11-23)17-6-8-18(9-7-17)25(28)29/h1-9H,10-15H2,(H2,21,22,26,27)/p+1