1-[2-(4-chlorophenyl)sulfanylethyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-4-methyl-piperazine-1,4-diium Formula: C13H21ClN2S+2 MolecularWeight: 272.83724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CC[NH+](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+2