methyl 3-oxidanyl-4-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate

Systemtic Name: methyl 3-oxidanyl-4-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate Openeye Name: methyl 3-hydroxy-4-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate CAS Name: 3-hydroxy-4-[[(3S)-3-(trifluoromethyl)-1-piperidin-1-iumyl]methyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-4-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate Traditional Name: 3-hydroxy-4-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylic acid methyl ester Formula: C19H21F3NO3+ MolecularWeight: 368.37015

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCCC(C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCC[C@@H](C3)C(F)(F)F

InChI

InChI=1S/C19H20F3NO3/c1-26-18(25)15-9-12-5-2-3-7-14(12)16(17(15)24)11-23-8-4-6-13(10-23)19(20,21)22/h2-3,5,7,9,13,24H,4,6,8,10-11H2,1H3/p+1/t13-/m0/s1