1-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C14H12BrFN3O2+ MolecularWeight: 353.166383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)NC2=C(C=C(C=C2)Br)F)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)NC2=C(C=C(C=C2)Br)F)C(=O)N

InChI

InChI=1S/C14H11BrFN3O2/c15-10-3-4-12(11(16)6-10)18-13(20)8-19-5-1-2-9(7-19)14(17)21/h1-7H,8H2,(H2-,17,18,20,21)/p+1