1-methyl-3-phenyl-8-(trifluoromethyl)-2H-quinazolin-1-ium

Systemtic Name: 1-methyl-3-phenyl-8-(trifluoromethyl)-2H-quinazolin-1-ium Openeye Name: 1-methyl-3-phenyl-8-(trifluoromethyl)-2H-quinazolin-1-ium CAS Name: 1-methyl-3-phenyl-8-(trifluoromethyl)-2H-quinazolin-1-ium IUPAC Name: 1-methyl-3-phenyl-8-(trifluoromethyl)-2H-quinazolin-1-ium Traditional Name: 1-methyl-3-phenyl-8-(trifluoromethyl)-2H-quinazolin-1-ium Formula: C16H14F3N2+ MolecularWeight: 291.29097

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=CN(C1)C3=CC=CC=C3)C=CC=C2C(F)(F)F

Isomeric SMILES

C[N+]1=C2C(=CN(C1)C3=CC=CC=C3)C=CC=C2C(F)(F)F

InChI

InChI=1S/C16H14F3N2/c1-20-11-21(13-7-3-2-4-8-13)10-12-6-5-9-14(15(12)20)16(17,18)19/h2-10H,11H2,1H3/q+1