1-methyl-4-phenylsulfanyl-piperidin-1-ium chloride

Systemtic Name: 1-methyl-4-phenylsulfanyl-piperidin-1-ium chloride Openeye Name: 1-methyl-4-phenylsulfanyl-piperidin-1-ium chloride CAS Name: 1-methyl-4-(phenylthio)piperidin-1-ium chloride IUPAC Name: 1-methyl-4-phenylsulfanylpiperidin-1-ium chloride Traditional Name: 1-methyl-4-(phenylthio)piperidin-1-ium chloride Formula: C12H18ClNS MolecularWeight: 243.79602

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)SC2=CC=CC=C2.[Cl-]

Isomeric SMILES

C[NH+]1CCC(CC1)SC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C12H17NS.ClH/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;/h2-6,12H,7-10H2,1H3;1H