3-[bis(fluoranyl)methyl]-1-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]-2-methyl-1H-quinazoline-1,3-diium-4-one bromide

Systemtic Name: 3-[bis(fluoranyl)methyl]-1-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]-2-methyl-1H-quinazoline-1,3-diium-4-one bromide Openeye Name: 3-(difluoromethyl)-1-[2-(2-methoxyphenyl)-2-oxo-ethyl]-2-methyl-1H-quinazoline-1,3-diium-4-one bromide CAS Name: 3-(difluoromethyl)-1-[2-(2-methoxyphenyl)-2-oxoethyl]-2-methyl-1H-quinazoline-1,3-diium-4-one bromide IUPAC Name: 3-(difluoromethyl)-1-[2-(2-methoxyphenyl)-2-oxoethyl]-2-methyl-1H-quinazoline-1,3-diium-4-one bromide Traditional Name: 3-(difluoromethyl)-1-[2-keto-2-(2-methoxyphenyl)ethyl]-2-methyl-1H-quinazoline-1,3-diium-4-one bromide Formula: C19H18BrF2N2O3+ MolecularWeight: 440.258626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2=CC=CC=C2[NH+]1CC(=O)C3=CC=CC=C3OC)C(F)F.[Br-]

Isomeric SMILES

CC1=[N+](C(=O)C2=CC=CC=C2[NH+]1CC(=O)C3=CC=CC=C3OC)C(F)F.[Br-]

InChI

InChI=1S/C19H17F2N2O3.BrH/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;1H/q+1;