2-(chloromethyl)-4-methyl-3-oxidanidyl-6,7-bis(trifluoromethyl)quinazolin-3-ium

Systemtic Name: 2-(chloromethyl)-4-methyl-3-oxidanidyl-6,7-bis(trifluoromethyl)quinazolin-3-ium Openeye Name: 2-(chloromethyl)-4-methyl-3-oxido-6,7-bis(trifluoromethyl)quinazolin-3-ium CAS Name: 2-(chloromethyl)-4-methyl-3-oxido-6,7-bis(trifluoromethyl)quinazolin-3-ium IUPAC Name: 2-(chloromethyl)-4-methyl-3-oxido-6,7-bis(trifluoromethyl)quinazolin-3-ium Traditional Name: 2-(chloromethyl)-4-methyl-3-oxido-6,7-bis(trifluoromethyl)quinazolin-3-ium Formula: C12H7ClF6N2O MolecularWeight: 344.640199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC2=CC(=C(C=C12)C(F)(F)F)C(F)(F)F)CCl)[O-]

Isomeric SMILES

CC1=[N+](C(=NC2=CC(=C(C=C12)C(F)(F)F)C(F)(F)F)CCl)[O-]

InChI

InChI=1S/C12H7ClF6N2O/c1-5-6-2-7(11(14,15)16)8(12(17,18)19)3-9(6)20-10(4-13)21(5)22/h2-3H,4H2,1H3