4-methylbenzenesulfonate; (2R,3R)-2-phenylpiperidin-1-ium-3-ol

Systemtic Name: 4-methylbenzenesulfonate; (2R,3R)-2-phenylpiperidin-1-ium-3-ol Openeye Name: 4-methylbenzenesulfonate; (2R,3R)-2-phenylpiperidin-1-ium-3-ol CAS Name: 4-methylbenzenesulfonate; (2R,3R)-2-phenyl-3-piperidin-1-iumol IUPAC Name: 4-methylbenzenesulfonate; (2R,3R)-2-phenylpiperidin-1-ium-3-ol Traditional Name: (2R,3R)-2-phenylpiperidin-1-ium-3-ol tosylate Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(C([NH2+]C1)C2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C[C@H]([C@H]([NH2+]C1)C2=CC=CC=C2)O

InChI

InChI=1S/C11H15NO.C7H8O3S/c13-10-7-4-8-12-11(10)9-5-2-1-3-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6,10-13H,4,7-8H2;2-5H,1H3,(H,8,9,10)/t10-,11-;/m1./s1