ethyl 4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinolin-1-ium-6-carboxylate

Systemtic Name: ethyl 4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinolin-1-ium-6-carboxylate Openeye Name: ethyl 4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinolin-1-ium-6-carboxylate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-2-(trifluoromethyl)-6-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinolin-1-ium-6-carboxylate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinolin-1-ium-6-carboxylic acid ethyl ester Formula: C18H22F3N3O2+2 MolecularWeight: 369.38139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)[NH+]=C(C=C2N3CC[NH+](CC3)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)[NH+]=C(C=C2N3CC[NH+](CC3)C)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O2/c1-3-26-17(25)12-4-5-14-13(10-12)15(11-16(22-14)18(19,20)21)24-8-6-23(2)7-9-24/h4-5,10-11H,3,6-9H2,1-2H3/p+2