4-tert-butylquinolin-1-ium; 5-(trifluoromethyl)quinolin-1-ium-3-carboxylic acid

Systemtic Name: 4-tert-butylquinolin-1-ium; 5-(trifluoromethyl)quinolin-1-ium-3-carboxylic acid Openeye Name: 4-tert-butylquinolin-1-ium; 5-(trifluoromethyl)quinolin-1-ium-3-carboxylic acid CAS Name: 4-tert-butylquinolin-1-ium; 5-(trifluoromethyl)-3-quinolin-1-iumcarboxylic acid IUPAC Name: 4-tert-butylquinolin-1-ium; 5-(trifluoromethyl)quinolin-1-ium-3-carboxylic acid Traditional Name: 4-tert-butylquinolin-1-ium; 5-(trifluoromethyl)quinolin-1-ium-3-carboxylic acid Formula: C24H23F3N2O2+2 MolecularWeight: 428.44683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[NH+]C2=CC=CC=C12.C1=CC(=C2C=C(C=[NH+]C2=C1)C(=O)O)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=[NH+]C2=CC=CC=C12.C1=CC(=C2C=C(C=[NH+]C2=C1)C(=O)O)C(F)(F)F

InChI

InChI=1S/C13H15N.C11H6F3NO2/c1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;12-11(13,14)8-2-1-3-9-7(8)4-6(5-15-9)10(16)17/h4-9H,1-3H3;1-5H,(H,16,17)/p+2