4-methylbenzenesulfonate; 2-(4-methylphenyl)piperidin-3-ol

Systemtic Name: 4-methylbenzenesulfonate; 2-(4-methylphenyl)piperidin-3-ol Openeye Name: 4-methylbenzenesulfonate; 2-(p-tolyl)piperidin-3-ol CAS Name: 4-methylbenzenesulfonate; 2-(4-methylphenyl)-3-piperidinol IUPAC Name: 4-methylbenzenesulfonate; 2-(4-methylphenyl)piperidin-3-ol Traditional Name: 2-(p-tolyl)piperidin-3-ol tosylate Formula: C19H24NO4S- MolecularWeight: 362.46316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(CCCN2)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2C(CCCN2)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H17NO.C7H8O3S/c1-9-4-6-10(7-5-9)12-11(14)3-2-8-13-12;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,11-14H,2-3,8H2,1H3;2-5H,1H3,(H,8,9,10)/p-1