(1-methyl-3-oxidanyl-piperidin-4-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (1-methyl-3-oxidanyl-piperidin-4-yl)methyl 4-methylbenzenesulfonate Openeye Name: (3-hydroxy-1-methyl-4-piperidyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-hydroxy-1-methyl-4-piperidinyl)methyl ester IUPAC Name: (3-hydroxy-1-methylpiperidin-4-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-hydroxy-1-methyl-4-piperidyl)methyl ester Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(CC2O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(CC2O)C

InChI

InChI=1S/C14H21NO4S/c1-11-3-5-13(6-4-11)20(17,18)19-10-12-7-8-15(2)9-14(12)16/h3-6,12,14,16H,7-10H2,1-2H3