3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-methyl-2-phenyl-piperidin-1-ium hydrochloride

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-methyl-2-phenyl-piperidin-1-ium hydrochloride Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-methyl-2-phenyl-piperidin-1-ium hydrochloride CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-methyl-2-phenylpiperidin-1-ium hydrochloride IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-methyl-2-phenylpiperidin-1-ium hydrochloride Traditional Name: 3-[3,5-bis(trifluoromethyl)benzyl]oxy-6-methyl-2-phenyl-piperidin-1-ium hydrochloride Formula: C21H23ClF6NO+ MolecularWeight: 454.856839

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C([NH2+]1)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.Cl

Isomeric SMILES

CC1CCC(C([NH2+]1)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.Cl

InChI

InChI=1S/C21H21F6NO.ClH/c1-13-7-8-18(19(28-13)15-5-3-2-4-6-15)29-12-14-9-16(20(22,23)24)11-17(10-14)21(25,26)27;/h2-6,9-11,13,18-19,28H,7-8,12H2,1H3;1H/p+1