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

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(benzylcarbamoyl)acetamide CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(benzylcarbamoyl)acetamide Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(benzylcarbamoyl)acetamide Formula: C27H31N4O2+ MolecularWeight: 443.56064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NCC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NCC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O2/c32-25(29-27(33)28-20-22-10-4-1-5-11-22)21-30-16-18-31(19-17-30)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,26H,16-21H2,(H2,28,29,32,33)/p+1