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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)Cl

InChI

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