2-(pyrrolidin-1-ium-1-ylmethyl)-7-(trifluoromethyl)quinazolin-4-olate

Systemtic Name: 2-(pyrrolidin-1-ium-1-ylmethyl)-7-(trifluoromethyl)quinazolin-4-olate Openeye Name: 2-(pyrrolidin-1-ium-1-ylmethyl)-7-(trifluoromethyl)quinazolin-4-olate CAS Name: 2-(1-pyrrolidin-1-iumylmethyl)-7-(trifluoromethyl)-4-quinazolinolate IUPAC Name: 2-(pyrrolidin-1-ium-1-ylmethyl)-7-(trifluoromethyl)quinazolin-4-olate Traditional Name: 2-(pyrrolidin-1-ium-1-ylmethyl)-7-(trifluoromethyl)quinazolin-4-olate Formula: C14H14F3N3O MolecularWeight: 297.27567

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=C(C=CC(=C3)C(F)(F)F)C(=N2)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=C(C=CC(=C3)C(F)(F)F)C(=N2)[O-]

InChI

InChI=1S/C14H14F3N3O/c15-14(16,17)9-3-4-10-11(7-9)18-12(19-13(10)21)8-20-5-1-2-6-20/h3-4,7H,1-2,5-6,8H2,(H,18,19,21)