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

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethyl]piperazin-4-ium Openeye Name: 1-[2-(4-chlorophenyl)sulfanylethyl]piperazin-4-ium CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]piperazin-4-ium IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylethyl]piperazin-4-ium Traditional Name: 1-[2-[(4-chlorophenyl)thio]ethyl]piperazin-4-ium Formula: C12H18ClN2S+ MolecularWeight: 257.80272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H17ClN2S/c13-11-1-3-12(4-2-11)16-10-9-15-7-5-14-6-8-15/h1-4,14H,5-10H2/p+1