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

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

Isomeric SMILES

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

InChI

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