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

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-4-methyl-piperazin-4-ium CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-4-methylpiperazin-4-ium Traditional Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-4-methyl-piperazin-4-ium Formula: C13H20ClN2S+ MolecularWeight: 271.8293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H19ClN2S/c1-15-6-8-16(9-7-15)10-11-17-13-4-2-12(14)3-5-13/h2-5H,6-11H2,1H3/p+1