1-methyl-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[[4-(methylthio)phenyl]methyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[4-(methylthio)benzyl]piperazine-1,4-diium Formula: C13H22N2S+2 MolecularWeight: 238.39218

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)SC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C13H20N2S/c1-14-7-9-15(10-8-14)11-12-3-5-13(16-2)6-4-12/h3-6H,7-11H2,1-2H3/p+2