4-[[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H19ClN3O+ MolecularWeight: 340.82666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H18ClN3O/c20-18-4-2-1-3-17(18)19(24)23-11-9-22(10-12-23)14-16-7-5-15(13-21)6-8-16/h1-8H,9-12,14H2/p+1