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

Systemtic Name: 2-[2-[[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyrimidin-4-olate Openeye Name: 2-[2-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyrimidin-4-olate CAS Name: 2-[2-[[(3S)-3-carbamoyl-1-piperidin-1-iumyl]methyl]phenyl]-6-(trifluoromethyl)-4-pyrimidinolate IUPAC Name: 2-[2-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyrimidin-4-olate Traditional Name: 2-[2-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyrimidin-4-olate Formula: C18H19F3N4O2 MolecularWeight: 380.36427

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2C3=NC(=CC(=N3)[O-])C(F)(F)F)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2C3=NC(=CC(=N3)[O-])C(F)(F)F)C(=O)N

InChI

InChI=1S/C18H19F3N4O2/c19-18(20,21)14-8-15(26)24-17(23-14)13-6-2-1-4-11(13)9-25-7-3-5-12(10-25)16(22)27/h1-2,4,6,8,12H,3,5,7,9-10H2,(H2,22,27)(H,23,24,26)/t12-/m0/s1