[2-(2-methyl-5-oxidanylidene-oxolan-2-yl)-2-oxidanylidene-ethyl]-pyridin-2-yl-azanium bromide

Systemtic Name: [2-(2-methyl-5-oxidanylidene-oxolan-2-yl)-2-oxidanylidene-ethyl]-pyridin-2-yl-azanium bromide Openeye Name: [2-(2-methyl-5-oxo-tetrahydrofuran-2-yl)-2-oxo-ethyl]-(2-pyridyl)ammonium bromide CAS Name: [2-(2-methyl-5-oxo-2-oxolanyl)-2-oxoethyl]-(2-pyridinyl)ammonium bromide IUPAC Name: [2-(2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium bromide Traditional Name: [2-keto-2-(5-keto-2-methyl-tetrahydrofuran-2-yl)ethyl]-(2-pyridyl)ammonium bromide Formula: C12H15BrN2O3 MolecularWeight: 315.1631

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)O1)C(=O)C[NH2+]C2=CC=CC=N2.[Br-]

Isomeric SMILES

CC1(CCC(=O)O1)C(=O)C[NH2+]C2=CC=CC=N2.[Br-]

InChI

InChI=1S/C12H14N2O3.BrH/c1-12(6-5-11(16)17-12)9(15)8-14-10-4-2-3-7-13-10;/h2-4,7H,5-6,8H2,1H3,(H,13,14);1H