ethyl (3S)-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H23F3NO3+ MolecularWeight: 346.36463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCOC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCOC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H22F3NO3/c1-2-23-16(22)13-5-4-8-21(12-13)9-10-24-15-7-3-6-14(11-15)17(18,19)20/h3,6-7,11,13H,2,4-5,8-10,12H2,1H3/p+1/t13-/m0/s1