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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14ClNO.C7H8O3S/c12-9-4-1-3-8(7-9)11-10(14)5-2-6-13-11;1-6-2-4-7(5-3-6)11(8,9)10/h1,3-4,7,10-11,13-14H,2,5-6H2;2-5H,1H3,(H,8,9,10)/p-1