4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzamide

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzamide Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzamide CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]benzamide IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzamide Traditional Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzamide Formula: C18H21ClN3O+ MolecularWeight: 330.83184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O/c19-16-2-1-3-17(12-16)22-10-8-21(9-11-22)13-14-4-6-15(7-5-14)18(20)23/h1-7,12H,8-11,13H2,(H2,20,23)/p+1