1-[2-(2-methyl-5-oxidanylidene-4-propyl-oxolan-2-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-[2-(2-methyl-5-oxidanylidene-4-propyl-oxolan-2-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[2-(2-methyl-5-oxo-4-propyl-tetrahydrofuran-2-yl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[2-(2-methyl-5-oxo-4-propyl-2-oxolanyl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(2-methyl-5-oxo-4-propyloxolan-2-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[2-keto-2-(5-keto-2-methyl-4-propyl-tetrahydrofuran-2-yl)ethyl]pyridin-1-ium-3-carboxamide bromide Formula: C16H21BrN2O4 MolecularWeight: 385.25294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(OC1=O)(C)C(=O)C[N+]2=CC=CC(=C2)C(=O)N.[Br-]

Isomeric SMILES

CCCC1CC(OC1=O)(C)C(=O)C[N+]2=CC=CC(=C2)C(=O)N.[Br-]

InChI

InChI=1S/C16H20N2O4.BrH/c1-3-5-11-8-16(2,22-15(11)21)13(19)10-18-7-4-6-12(9-18)14(17)20;/h4,6-7,9,11H,3,5,8,10H2,1-2H3,(H-,17,20);1H