1-methyl-4-(2-phenylsulfanylethyl)piperazin-1-ium

Systemtic Name: 1-methyl-4-(2-phenylsulfanylethyl)piperazin-1-ium Openeye Name: 1-methyl-4-(2-phenylsulfanylethyl)piperazin-1-ium CAS Name: 1-methyl-4-[2-(phenylthio)ethyl]piperazin-1-ium IUPAC Name: 1-methyl-4-(2-phenylsulfanylethyl)piperazin-1-ium Traditional Name: 1-methyl-4-[2-(phenylthio)ethyl]piperazin-1-ium Formula: C13H21N2S+ MolecularWeight: 237.38424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCN(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+1