4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-yl-piperidine; 4-methylbenzenesulfonic acid

Systemtic Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-yl-piperidine; 4-methylbenzenesulfonic acid Openeye Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-isopropyl-4-phenyl-piperidine; 4-methylbenzenesulfonic acid CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-ylpiperidine; 4-methylbenzenesulfonic acid IUPAC Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-propan-2-ylpiperidine; 4-methylbenzenesulfonic acid Traditional Name: 4-[[3,5-bis(trifluoromethyl)benzyl]oxymethyl]-1-isopropyl-4-phenyl-piperidine; tosylic acid Formula: C31H35F6NO4S MolecularWeight: 631.669319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)N1CCC(CC1)(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)N1CCC(CC1)(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C24H27F6NO.C7H8O3S/c1-17(2)31-10-8-22(9-11-31,19-6-4-3-5-7-19)16-32-15-18-12-20(23(25,26)27)14-21(13-18)24(28,29)30;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,12-14,17H,8-11,15-16H2,1-2H3;2-5H,1H3,(H,8,9,10)