1-[2-(2-methyl-5-oxidanylidene-oxolan-2-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-[2-(2-methyl-5-oxidanylidene-oxolan-2-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[2-(2-methyl-5-oxo-tetrahydrofuran-2-yl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[2-(2-methyl-5-oxo-2-oxolanyl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[2-keto-2-(5-keto-2-methyl-tetrahydrofuran-2-yl)ethyl]pyridin-1-ium-3-carboxamide bromide Formula: C13H15BrN2O4 MolecularWeight: 343.1732

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)O1)C(=O)C[N+]2=CC=CC(=C2)C(=O)N.[Br-]

Isomeric SMILES

CC1(CCC(=O)O1)C(=O)C[N+]2=CC=CC(=C2)C(=O)N.[Br-]

InChI

InChI=1S/C13H14N2O4.BrH/c1-13(5-4-11(17)19-13)10(16)8-15-6-2-3-9(7-15)12(14)18;/h2-3,6-7H,4-5,8H2,1H3,(H-,14,18);1H