ethyl 5-methyl-3-(3-methylbutyl)-2-oxidanylidene-5-(2-pyridin-1-ium-1-ylethanoyl)oxolane-3-carboxylate bromide

Systemtic Name: ethyl 5-methyl-3-(3-methylbutyl)-2-oxidanylidene-5-(2-pyridin-1-ium-1-ylethanoyl)oxolane-3-carboxylate bromide Openeye Name: ethyl 3-isopentyl-5-methyl-2-oxo-5-(2-pyridin-1-ium-1-ylacetyl)tetrahydrofuran-3-carboxylate bromide CAS Name: 5-methyl-3-(3-methylbutyl)-2-oxo-5-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]-3-oxolanecarboxylic acid ethyl ester bromide IUPAC Name: ethyl 5-methyl-3-(3-methylbutyl)-2-oxo-5-(2-pyridin-1-ium-1-ylacetyl)oxolane-3-carboxylate bromide Traditional Name: 3-isoamyl-2-keto-5-methyl-5-(2-pyridin-1-ium-1-ylacetyl)tetrahydrofuran-3-carboxylic acid ethyl ester bromide Formula: C20H28BrNO5 MolecularWeight: 442.34402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(OC1=O)(C)C(=O)C[N+]2=CC=CC=C2)CCC(C)C.[Br-]

Isomeric SMILES

CCOC(=O)C1(CC(OC1=O)(C)C(=O)C[N+]2=CC=CC=C2)CCC(C)C.[Br-]

InChI

InChI=1S/C20H28NO5.BrH/c1-5-25-17(23)20(10-9-15(2)3)14-19(4,26-18(20)24)16(22)13-21-11-7-6-8-12-21;/h6-8,11-12,15H,5,9-10,13-14H2,1-4H3;1H/q+1;/p-1