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

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[2-(phenylcarbonyl)phenyl]ethanamide Openeye Name: N-(2-benzoylphenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-benzoylphenyl)-2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-benzoylphenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-benzoylphenyl)-2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]acetamide Formula: C27H27N4O2+ MolecularWeight: 439.52888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H26N4O2/c28-18-21-10-12-22(13-11-21)19-30-14-16-31(17-15-30)20-26(32)29-25-9-5-4-8-24(25)27(33)23-6-2-1-3-7-23/h1-13H,14-17,19-20H2,(H,29,32)/p+1