4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]aniline

Systemtic Name: 4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]aniline Openeye Name: 4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]aniline CAS Name: 4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]aniline Traditional Name: [4-[4-(2-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=CC=C2Cl)C3=CC=C(C=C3)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)N

InChI

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