6-bromanyl-N-piperidin-1-ium-4-yl-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: 6-bromanyl-N-piperidin-1-ium-4-yl-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: 6-bromo-N-piperidin-1-ium-4-yl-2-(trifluoromethyl)quinazolin-4-amine CAS Name: 6-bromo-N-(4-piperidin-1-iumyl)-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: 6-bromo-N-piperidin-1-ium-4-yl-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [6-bromo-2-(trifluoromethyl)quinazolin-4-yl]-piperidin-1-ium-4-yl-amine Formula: C14H15BrF3N4+ MolecularWeight: 376.19491

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1NC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

C1C[NH2+]CCC1NC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C14H14BrF3N4/c15-8-1-2-11-10(7-8)12(20-9-3-5-19-6-4-9)22-13(21-11)14(16,17)18/h1-2,7,9,19H,3-6H2,(H,20,21,22)/p+1