ethyl 4-[[(2S)-2-oxidanylpropyl]amino]-7-(trifluoromethyl)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-[[(2S)-2-oxidanylpropyl]amino]-7-(trifluoromethyl)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[[(2S)-2-hydroxypropyl]amino]-7-(trifluoromethyl)quinolin-1-ium-3-carboxylate CAS Name: 4-[[(2S)-2-hydroxypropyl]amino]-7-(trifluoromethyl)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-hydroxypropyl]amino]-7-(trifluoromethyl)quinolin-1-ium-3-carboxylate Traditional Name: 4-[[(2S)-2-hydroxypropyl]amino]-7-(trifluoromethyl)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C16H18F3N2O3+ MolecularWeight: 343.32093

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=C(C=CC2=C1NCC(C)O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=C(C=CC2=C1NC[C@H](C)O)C(F)(F)F

InChI

InChI=1S/C16H17F3N2O3/c1-3-24-15(23)12-8-20-13-6-10(16(17,18)19)4-5-11(13)14(12)21-7-9(2)22/h4-6,8-9,22H,3,7H2,1-2H3,(H,20,21)/p+1/t9-/m0/s1