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

Systemtic Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]aniline Openeye Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]aniline CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]aniline IUPAC Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]aniline Traditional Name: [3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]amine Formula: C17H21ClN3+ MolecularWeight: 302.82174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3/c18-15-4-2-6-17(12-15)21-9-7-20(8-10-21)13-14-3-1-5-16(19)11-14/h1-6,11-12H,7-10,13,19H2/p+1