methyl 2-azanyl-3-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]propanoate chloride

Systemtic Name: methyl 2-azanyl-3-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]propanoate chloride Openeye Name: methyl 2-amino-3-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]propanoate chloride CAS Name: 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]propanoic acid methyl ester chloride IUPAC Name: methyl 2-amino-3-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]propanoate chloride Traditional Name: 2-amino-3-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]propionic acid methyl ester chloride Formula: C10H11Cl2F3N2O2 MolecularWeight: 319.10775

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=C(C=C(C=[NH+]1)C(F)(F)F)Cl)N.[Cl-]

Isomeric SMILES

COC(=O)C(CC1=C(C=C(C=[NH+]1)C(F)(F)F)Cl)N.[Cl-]

InChI

InChI=1S/C10H10ClF3N2O2.ClH/c1-18-9(17)7(15)3-8-6(11)2-5(4-16-8)10(12,13)14;/h2,4,7H,3,15H2,1H3;1H