(1-methylpiperidin-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-methylpiperidin-3-yl) 4-methylbenzenesulfonate Openeye Name: (1-methyl-3-piperidyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-methyl-3-piperidinyl) ester IUPAC Name: (1-methylpiperidin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methyl-3-piperidyl) ester Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCN(C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCN(C2)C

InChI

InChI=1S/C13H19NO3S/c1-11-5-7-13(8-6-11)18(15,16)17-12-4-3-9-14(2)10-12/h5-8,12H,3-4,9-10H2,1-2H3