2-[4-oxidanylidene-2-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]quinazolin-3-yl]ethanamide

Systemtic Name: 2-[4-oxidanylidene-2-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]quinazolin-3-yl]ethanamide Openeye Name: 2-[4-oxo-2-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]quinazolin-3-yl]acetamide CAS Name: 2-[4-oxo-2-[[(3S)-3-(trifluoromethyl)-1-piperidin-1-iumyl]methyl]-3-quinazolinyl]acetamide IUPAC Name: 2-[4-oxo-2-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]quinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-2-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]quinazolin-3-yl]acetamide Formula: C17H20F3N4O2+ MolecularWeight: 369.36151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)C(F)(F)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)C(F)(F)F

InChI

InChI=1S/C17H19F3N4O2/c18-17(19,20)11-4-3-7-23(8-11)10-15-22-13-6-2-1-5-12(13)16(26)24(15)9-14(21)25/h1-2,5-6,11H,3-4,7-10H2,(H2,21,25)/p+1/t11-/m0/s1