1-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methyl]piperidin-1-ium-4-one

Systemtic Name: 1-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methyl]piperidin-1-ium-4-one Openeye Name: 1-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methyl]piperidin-1-ium-4-one CAS Name: 1-[[2-[4-(trifluoromethyl)-2-pyrimidinyl]phenyl]methyl]-4-piperidin-1-iumone IUPAC Name: 1-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]methyl]piperidin-1-ium-4-one Traditional Name: 1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]benzyl]piperidin-1-ium-4-one Formula: C17H17F3N3O+ MolecularWeight: 336.33159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=O)CC2=CC=CC=C2C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1C[NH+](CCC1=O)CC2=CC=CC=C2C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C17H16F3N3O/c18-17(19,20)15-5-8-21-16(22-15)14-4-2-1-3-12(14)11-23-9-6-13(24)7-10-23/h1-5,8H,6-7,9-11H2/p+1