1-methyl-4-(2-phenylsulfanylethyl)piperazine-1,4-diium

Systemtic Name: 1-methyl-4-(2-phenylsulfanylethyl)piperazine-1,4-diium Openeye Name: 1-methyl-4-(2-phenylsulfanylethyl)piperazine-1,4-diium CAS Name: 1-methyl-4-[2-(phenylthio)ethyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-(2-phenylsulfanylethyl)piperazine-1,4-diium Traditional Name: 1-methyl-4-[2-(phenylthio)ethyl]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)CCSC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2S/c1-14-7-9-15(10-8-14)11-12-16-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3/p+2