4-(3-chlorophenyl)sulfanyl-1-methyl-piperidin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-(3-chlorophenyl)sulfanyl-1-methyl-piperidin-1-ium; 4-methylbenzenesulfonate Openeye Name: 4-(3-chlorophenyl)sulfanyl-1-methyl-piperidin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-[(3-chlorophenyl)thio]-1-methylpiperidin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 4-(3-chlorophenyl)sulfanyl-1-methylpiperidin-1-ium; 4-methylbenzenesulfonate Traditional Name: 4-[(3-chlorophenyl)thio]-1-methyl-piperidin-1-ium tosylate Formula: C19H24ClNO3S2 MolecularWeight: 413.98176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+]1CCC(CC1)SC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+]1CCC(CC1)SC2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H16ClNS.C7H8O3S/c1-14-7-5-11(6-8-14)15-12-4-2-3-10(13)9-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,9,11H,5-8H2,1H3;2-5H,1H3,(H,8,9,10)