(2S)-3-methyl-2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]butanoate Openeye Name: (2S)-3-methyl-2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]butyrate Formula: C11H13F3N2O2 MolecularWeight: 262.22833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC1=[NH+]C=C(C=C1)C(F)(F)F

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC1=[NH+]C=C(C=C1)C(F)(F)F

InChI

InChI=1S/C11H13F3N2O2/c1-6(2)9(10(17)18)16-8-4-3-7(5-15-8)11(12,13)14/h3-6,9H,1-2H3,(H,15,16)(H,17,18)/t9-/m0/s1