methyl (2R,4R)-4-naphthalen-1-yloxypyrrolidin-1-ium-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: methyl (2R,4R)-4-naphthalen-1-yloxypyrrolidin-1-ium-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: methyl (2R,4R)-4-(1-naphthyloxy)pyrrolidin-1-ium-2-carboxylate; 2,2,2-trifluoroacetate CAS Name: (2R,4R)-4-(1-naphthalenyloxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester; 2,2,2-trifluoroacetate IUPAC Name: methyl (2R,4R)-4-naphthalen-1-yloxypyrrolidin-1-ium-2-carboxylate; 2,2,2-trifluoroacetate Traditional Name: (2R,4R)-4-(1-naphthoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester; 2,2,2-trifluoroacetate Formula: C18H18F3NO5 MolecularWeight: 385.33443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH2+]1)OC2=CC=CC3=CC=CC=C32.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

COC(=O)[C@H]1C[C@H](C[NH2+]1)OC2=CC=CC3=CC=CC=C32.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C16H17NO3.C2HF3O2/c1-19-16(18)14-9-12(10-17-14)20-15-8-4-6-11-5-2-3-7-13(11)15;3-2(4,5)1(6)7/h2-8,12,14,17H,9-10H2,1H3;(H,6,7)/t12-,14-;/m1./s1