5-[4-oxidanylidene-5-(trifluoromethyl)quinazolin-3-yl]pentylazanium

Systemtic Name: 5-[4-oxidanylidene-5-(trifluoromethyl)quinazolin-3-yl]pentylazanium Openeye Name: 5-[4-oxo-5-(trifluoromethyl)quinazolin-3-yl]pentylammonium CAS Name: 5-[4-oxo-5-(trifluoromethyl)-3-quinazolinyl]pentylammonium IUPAC Name: 5-[4-oxo-5-(trifluoromethyl)quinazolin-3-yl]pentylazanium Traditional Name: 5-[4-keto-5-(trifluoromethyl)quinazolin-3-yl]pentylammonium Formula: C14H17F3N3O+ MolecularWeight: 300.29949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)N=CN(C2=O)CCCCC[NH3+])C(F)(F)F

Isomeric SMILES

C1=CC(=C2C(=C1)N=CN(C2=O)CCCCC[NH3+])C(F)(F)F

InChI

InChI=1S/C14H16F3N3O/c15-14(16,17)10-5-4-6-11-12(10)13(21)20(9-19-11)8-3-1-2-7-18/h4-6,9H,1-3,7-8,18H2/p+1