ethyl 2-methylsulfanyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium-3-carboxylate CAS Name: 2-(methylthio)-4-(1-pyrrolidinyl)-8-(trifluoromethyl)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium-3-carboxylate Traditional Name: 2-(methylthio)-4-pyrrolidino-8-(trifluoromethyl)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C18H20F3N2O2S+ MolecularWeight: 385.42381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C(=CC=C2)C(F)(F)F)[NH+]=C1SC)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C(=CC=C2)C(F)(F)F)[NH+]=C1SC)N3CCCC3

InChI

InChI=1S/C18H19F3N2O2S/c1-3-25-17(24)13-15(23-9-4-5-10-23)11-7-6-8-12(18(19,20)21)14(11)22-16(13)26-2/h6-8H,3-5,9-10H2,1-2H3/p+1