3-[bis(fluoranyl)methyl]-1-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]-2-methyl-quinazolin-3-ium-4-one

Systemtic Name: 3-[bis(fluoranyl)methyl]-1-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]-2-methyl-quinazolin-3-ium-4-one Openeye Name: 3-(difluoromethyl)-1-[2-(2-methoxyphenyl)-2-oxo-ethyl]-2-methyl-quinazolin-3-ium-4-one CAS Name: 3-(difluoromethyl)-1-[2-(2-methoxyphenyl)-2-oxoethyl]-2-methyl-4-quinazolin-3-iumone IUPAC Name: 3-(difluoromethyl)-1-[2-(2-methoxyphenyl)-2-oxoethyl]-2-methylquinazolin-3-ium-4-one Traditional Name: 3-(difluoromethyl)-1-[2-keto-2-(2-methoxyphenyl)ethyl]-2-methyl-quinazolin-3-ium-4-one Formula: C19H17F2N2O3+ MolecularWeight: 359.346686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2=CC=CC=C2N1CC(=O)C3=CC=CC=C3OC)C(F)F

Isomeric SMILES

CC1=[N+](C(=O)C2=CC=CC=C2N1CC(=O)C3=CC=CC=C3OC)C(F)F

InChI

InChI=1S/C19H17F2N2O3/c1-12-22(11-16(24)14-8-4-6-10-17(14)26-2)15-9-5-3-7-13(15)18(25)23(12)19(20)21/h3-10,19H,11H2,1-2H3/q+1