[(3S)-5-(5-bromanylpyridin-3-yl)carbonyloxy-3-cyano-4-oxidanylidene-pent-1-en-2-yl]azanium

Systemtic Name: [(3S)-5-(5-bromanylpyridin-3-yl)carbonyloxy-3-cyano-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2S)-4-(5-bromopyridine-3-carbonyl)oxy-2-cyano-1-methylene-3-oxo-butyl]ammonium CAS Name: [(3S)-5-[(5-bromo-3-pyridinyl)-oxomethoxy]-3-cyano-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3S)-5-(5-bromopyridine-3-carbonyl)oxy-3-cyano-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1S)-3-(5-bromonicotinoyl)oxy-1-cyano-2-keto-propyl]vinylammonium Formula: C12H11BrN3O3+ MolecularWeight: 325.13804

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)C1=CC(=CN=C1)Br)[NH3+]

Isomeric SMILES

C=C([C@@H](C#N)C(=O)COC(=O)C1=CC(=CN=C1)Br)[NH3+]

InChI

InChI=1S/C12H10BrN3O3/c1-7(15)10(3-14)11(17)6-19-12(18)8-2-9(13)5-16-4-8/h2,4-5,10H,1,6,15H2/p+1/t10-/m1/s1