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

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]aniline Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]aniline CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]aniline IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]aniline Traditional Name: [4-[[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=C(C=C2)N)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

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