2-pyridin-3-yl-4-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-4-ium-1-yl]quinazoline

Systemtic Name: 2-pyridin-3-yl-4-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-4-ium-1-yl]quinazoline Openeye Name: 2-(3-pyridyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-4-ium-1-yl]quinazoline CAS Name: 2-(3-pyridinyl)-4-[4-(2,2,2-trifluoroethyl)-1-piperazin-4-iumyl]quinazoline IUPAC Name: 2-pyridin-3-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-4-ium-1-yl]quinazoline Traditional Name: 2-(3-pyridyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-4-ium-1-yl]quinazoline Formula: C19H19F3N5+ MolecularWeight: 374.38287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(F)(F)F)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(F)(F)F)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C19H18F3N5/c20-19(21,22)13-26-8-10-27(11-9-26)18-15-5-1-2-6-16(15)24-17(25-18)14-4-3-7-23-12-14/h1-7,12H,8-11,13H2/p+1