tert-butyl 3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenyl-piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenyl-piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenyl-piperidin-1-ium-1-carboxylate CAS Name: 3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenyl-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylpiperidin-1-ium-1-carboxylate Traditional Name: 3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenyl-piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C26H30F6NO3+ MolecularWeight: 518.511719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2CCC[N+](C2)(C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2CCC[N+](C2)(C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H30F6NO3/c1-17(18-13-19(25(27,28)29)15-20(14-18)26(30,31)32)35-22-11-8-12-33(16-22,21-9-6-5-7-10-21)23(34)36-24(2,3)4/h5-7,9-10,13-15,17,22H,8,11-12,16H2,1-4H3/q+1