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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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