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

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[2-(phenylmethyl)phenyl]ethanamide Openeye Name: N-(2-benzylphenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-N-[2-(phenylmethyl)phenyl]acetamide IUPAC Name: N-(2-benzylphenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-benzylphenyl)-2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]acetamide Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H28N4O/c28-19-23-10-12-24(13-11-23)20-30-14-16-31(17-15-30)21-27(32)29-26-9-5-4-8-25(26)18-22-6-2-1-3-7-22/h1-13H,14-18,20-21H2,(H,29,32)/p+1