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

Systemtic Name: 1-methyl-4-[4-(4-methylphenyl)sulfanylbutyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[4-(p-tolylsulfanyl)butyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[4-[(4-methylphenyl)thio]butyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[4-(4-methylphenyl)sulfanylbutyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[4-(p-tolylthio)butyl]piperazine-1,4-diium Formula: C16H28N2S+2 MolecularWeight: 280.47192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2S/c1-15-5-7-16(8-6-15)19-14-4-3-9-18-12-10-17(2)11-13-18/h5-8H,3-4,9-14H2,1-2H3/p+2