4-methylbenzenesulfonic acid; (1-methylpiperidin-4-yl) 4-methylbenzenesulfonate

Systemtic Name: 4-methylbenzenesulfonic acid; (1-methylpiperidin-4-yl) 4-methylbenzenesulfonate Openeye Name: 4-methylbenzenesulfonic acid; (1-methyl-4-piperidyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid; 4-methylbenzenesulfonic acid (1-methyl-4-piperidinyl) ester IUPAC Name: 4-methylbenzenesulfonic acid; (1-methylpiperidin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methyl-4-piperidyl) ester; tosylic acid Formula: C20H27NO6S2 MolecularWeight: 441.56148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)OC2CCN(CC2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)OC2CCN(CC2)C

InChI

InChI=1S/C13H19NO3S.C7H8O3S/c1-11-3-5-13(6-4-11)18(15,16)17-12-7-9-14(2)10-8-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,12H,7-10H2,1-2H3;2-5H,1H3,(H,8,9,10)