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

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(benzylcarbamoyl)-2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]acetamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NCC2=CC=CC=C2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NCC2=CC=CC=C2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N5O2/c23-14-18-6-8-20(9-7-18)16-26-10-12-27(13-11-26)17-21(28)25-22(29)24-15-19-4-2-1-3-5-19/h1-9H,10-13,15-17H2,(H2,24,25,28,29)/p+1