2-[2-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]phenyl]-5-methyl-6-(trifluoromethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]phenyl]-5-methyl-6-(trifluoromethyl)pyrimidin-4-olate Openeye Name: 2-[2-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]phenyl]-5-methyl-6-(trifluoromethyl)pyrimidin-4-olate CAS Name: 2-[2-[[(3S)-3-methoxy-1-piperidin-1-iumyl]methyl]phenyl]-5-methyl-6-(trifluoromethyl)-4-pyrimidinolate IUPAC Name: 2-[2-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]phenyl]-5-methyl-6-(trifluoromethyl)pyrimidin-4-olate Traditional Name: 2-[2-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]phenyl]-5-methyl-6-(trifluoromethyl)pyrimidin-4-olate Formula: C19H22F3N3O2 MolecularWeight: 381.39209

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1[O-])C2=CC=CC=C2C[NH+]3CCCC(C3)OC)C(F)(F)F

Isomeric SMILES

CC1=C(N=C(N=C1[O-])C2=CC=CC=C2C[NH+]3CCC[C@@H](C3)OC)C(F)(F)F

InChI

InChI=1S/C19H22F3N3O2/c1-12-16(19(20,21)22)23-17(24-18(12)26)15-8-4-3-6-13(15)10-25-9-5-7-14(11-25)27-2/h3-4,6,8,14H,5,7,9-11H2,1-2H3,(H,23,24,26)/t14-/m0/s1