2-(chloromethyl)-3-oxidanidyl-4-(trifluoromethyl)quinazolin-3-ium

Systemtic Name: 2-(chloromethyl)-3-oxidanidyl-4-(trifluoromethyl)quinazolin-3-ium Openeye Name: 2-(chloromethyl)-3-oxido-4-(trifluoromethyl)quinazolin-3-ium CAS Name: 2-(chloromethyl)-3-oxido-4-(trifluoromethyl)quinazolin-3-ium IUPAC Name: 2-(chloromethyl)-3-oxido-4-(trifluoromethyl)quinazolin-3-ium Traditional Name: 2-(chloromethyl)-3-oxido-4-(trifluoromethyl)quinazolin-3-ium Formula: C10H6ClF3N2O MolecularWeight: 262.61565

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=[N+](C(=N2)CCl)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=[N+](C(=N2)CCl)[O-])C(F)(F)F

InChI

InChI=1S/C10H6ClF3N2O/c11-5-8-15-7-4-2-1-3-6(7)9(16(8)17)10(12,13)14/h1-4H,5H2