6-piperidin-1-ium-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-piperidin-1-ium-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-piperidin-1-ium-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-(4-piperidin-1-iumyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-piperidin-1-ium-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-piperidin-1-ium-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one Formula: C16H17F3N3O+ MolecularWeight: 324.32089

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=CC(=O)N=C(N2)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1C[NH2+]CCC1C2=CC(=O)N=C(N2)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C16H16F3N3O/c17-16(18,19)12-3-1-2-11(8-12)15-21-13(9-14(23)22-15)10-4-6-20-7-5-10/h1-3,8-10,20H,4-7H2,(H,21,22,23)/p+1