2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(phenylmethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(phenylmethyl)phenyl]ethanamide Openeye Name: N-(2-benzylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-[2-(phenylmethyl)phenyl]acetamide IUPAC Name: N-(2-benzylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-benzylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C25H27ClN3O+ MolecularWeight: 420.95438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H26ClN3O/c26-22-10-6-11-23(18-22)29-15-13-28(14-16-29)19-25(30)27-24-12-5-4-9-21(24)17-20-7-2-1-3-8-20/h1-12,18H,13-17,19H2,(H,27,30)/p+1