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

Systemtic Name: 6-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-[(3S)-1-methyl-3-piperidin-1-iumyl]-2-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one Formula: C17H19F3N3O+ MolecularWeight: 338.34747

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)C2=CC(=O)N=C(N2)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)C2=CC(=O)N=C(N2)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C17H18F3N3O/c1-23-8-4-5-11(10-23)14-9-15(24)22-16(21-14)12-6-2-3-7-13(12)17(18,19)20/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,21,22,24)/p+1/t11-/m0/s1