1-methyl-4-[3-(4-methylphenyl)sulfanylpropyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[3-(4-methylphenyl)sulfanylpropyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[3-(p-tolylsulfanyl)propyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[3-[(4-methylphenyl)thio]propyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[3-(4-methylphenyl)sulfanylpropyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[3-(p-tolylthio)propyl]piperazine-1,4-diium Formula: C15H26N2S+2 MolecularWeight: 266.44534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2S/c1-14-4-6-15(7-5-14)18-13-3-8-17-11-9-16(2)10-12-17/h4-7H,3,8-13H2,1-2H3/p+2