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

Systemtic Name: 1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[2-(p-tolylsulfanyl)ethyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[2-[(4-methylphenyl)thio]ethyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[2-(p-tolylthio)ethyl]piperazine-1,4-diium Formula: C14H24N2S+2 MolecularWeight: 252.41876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C14H22N2S/c1-13-3-5-14(6-4-13)17-12-11-16-9-7-15(2)8-10-16/h3-6H,7-12H2,1-2H3/p+2