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

Systemtic Name: 2-(4-chlorophenyl)piperidin-3-ol; 4-methylbenzenesulfonate Openeye Name: 2-(4-chlorophenyl)piperidin-3-ol; 4-methylbenzenesulfonate CAS Name: 2-(4-chlorophenyl)-3-piperidinol; 4-methylbenzenesulfonate IUPAC Name: 2-(4-chlorophenyl)piperidin-3-ol; 4-methylbenzenesulfonate Traditional Name: 2-(4-chlorophenyl)piperidin-3-ol tosylate Formula: C18H21ClNO4S- MolecularWeight: 382.88164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(C(NC1)C2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(C(NC1)C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C11H14ClNO.C7H8O3S/c12-9-5-3-8(4-6-9)11-10(14)2-1-7-13-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,10-11,13-14H,1-2,7H2;2-5H,1H3,(H,8,9,10)/p-1