4-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]butanoate

Systemtic Name: 4-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]butanoate Openeye Name: 4-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]butanoate CAS Name: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]butanoate IUPAC Name: 4-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]butanoate Traditional Name: 4-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]butyrate Formula: C10H10ClF3N2O2 MolecularWeight: 282.64681

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=[NH+]C(=C1Cl)NCCCC(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=[NH+]C(=C1Cl)NCCCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C10H10ClF3N2O2/c11-7-4-6(10(12,13)14)5-16-9(7)15-3-1-2-8(17)18/h4-5H,1-3H2,(H,15,16)(H,17,18)