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

Systemtic Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-4-phenyl-piperidine; 4-methylbenzenesulfonic acid Openeye Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-4-phenyl-piperidine; 4-methylbenzenesulfonic acid CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-4-phenylpiperidine; 4-methylbenzenesulfonic acid IUPAC Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-4-phenylpiperidine; 4-methylbenzenesulfonic acid Traditional Name: 4-[[3,5-bis(trifluoromethyl)benzyl]oxymethyl]-1-methyl-4-phenyl-piperidine; tosylic acid Formula: C29H31F6NO4S MolecularWeight: 603.616159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC(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.CN1CCC(CC1)(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C22H23F6NO.C7H8O3S/c1-29-9-7-20(8-10-29,17-5-3-2-4-6-17)15-30-14-16-11-18(21(23,24)25)13-19(12-16)22(26,27)28;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,11-13H,7-10,14-15H2,1H3;2-5H,1H3,(H,8,9,10)