ethyl 1-[[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]methyl]pyridin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]methyl]pyridin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]methyl]pyridin-1-ium-4-carboxylate CAS Name: 1-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-2-quinazolinyl]methyl]-4-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]methyl]pyridin-1-ium-4-carboxylate Traditional Name: 1-[[4-keto-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]methyl]pyridin-1-ium-4-carboxylic acid ethyl ester Formula: C24H19F3N3O3+ MolecularWeight: 454.42117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=[N+](C=C1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=[N+](C=C1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C24H19F3N3O3/c1-2-33-23(32)16-10-12-29(13-11-16)15-21-28-20-9-4-3-8-19(20)22(31)30(21)18-7-5-6-17(14-18)24(25,26)27/h3-14H,2,15H2,1H3/q+1