4-methylbenzenesulfonic acid; [(3S,4R)-1-methyl-4-phenyl-piperidin-3-yl]methanol

Systemtic Name: 4-methylbenzenesulfonic acid; [(3S,4R)-1-methyl-4-phenyl-piperidin-3-yl]methanol Openeye Name: 4-methylbenzenesulfonic acid; [(3S,4R)-1-methyl-4-phenyl-3-piperidyl]methanol CAS Name: 4-methylbenzenesulfonic acid; [(3S,4R)-1-methyl-4-phenyl-3-piperidinyl]methanol IUPAC Name: 4-methylbenzenesulfonic acid; [(3S,4R)-1-methyl-4-phenylpiperidin-3-yl]methanol Traditional Name: [(3S,4R)-1-methyl-4-phenyl-3-piperidyl]methanol; tosylic acid Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC(C(C1)CO)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN1CC[C@H]([C@@H](C1)CO)C2=CC=CC=C2

InChI

InChI=1S/C13H19NO.C7H8O3S/c1-14-8-7-13(12(9-14)10-15)11-5-3-2-4-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,12-13,15H,7-10H2,1H3;2-5H,1H3,(H,8,9,10)/t12-,13-;/m0./s1