6,7-dimethoxy-N-piperidin-1-ium-4-yl-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: 6,7-dimethoxy-N-piperidin-1-ium-4-yl-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: 6,7-dimethoxy-N-piperidin-1-ium-4-yl-2-(trifluoromethyl)quinazolin-4-amine CAS Name: 6,7-dimethoxy-N-(4-piperidin-1-iumyl)-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: 6,7-dimethoxy-N-piperidin-1-ium-4-yl-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]-piperidin-1-ium-4-yl-amine Formula: C16H20F3N4O2+ MolecularWeight: 357.35081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC3CC[NH2+]CC3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC3CC[NH2+]CC3)OC

InChI

InChI=1S/C16H19F3N4O2/c1-24-12-7-10-11(8-13(12)25-2)22-15(16(17,18)19)23-14(10)21-9-3-5-20-6-4-9/h7-9,20H,3-6H2,1-2H3,(H,21,22,23)/p+1