2-(pyridin-1-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one bromide

Systemtic Name: 2-(pyridin-1-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one bromide Openeye Name: 2-(pyridin-1-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one bromide CAS Name: 2-(1-pyridin-1-iumylmethyl)-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone bromide IUPAC Name: 2-(pyridin-1-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one bromide Traditional Name: 2-(pyridin-1-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one bromide Formula: C21H15BrF3N3O MolecularWeight: 462.26251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15F3N3O.BrH/c22-21(23,24)15-7-6-8-16(13-15)27-19(14-26-11-4-1-5-12-26)25-18-10-3-2-9-17(18)20(27)28;/h1-13H,14H2;1H/q+1;/p-1