ethyl 1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-4-carboxylate bromide

Systemtic Name: ethyl 1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-4-carboxylate bromide Openeye Name: ethyl 1-[2-oxo-2-(2-thienyl)ethyl]pyridin-1-ium-4-carboxylate bromide CAS Name: 1-(2-oxo-2-thiophen-2-ylethyl)-4-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-4-carboxylate bromide Traditional Name: 1-[2-keto-2-(2-thienyl)ethyl]pyridin-1-ium-4-carboxylic acid ethyl ester bromide Formula: C14H14BrNO3S MolecularWeight: 356.23486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=[N+](C=C1)CC(=O)C2=CC=CS2.[Br-]

Isomeric SMILES

CCOC(=O)C1=CC=[N+](C=C1)CC(=O)C2=CC=CS2.[Br-]

InChI

InChI=1S/C14H14NO3S.BrH/c1-2-18-14(17)11-5-7-15(8-6-11)10-12(16)13-4-3-9-19-13;/h3-9H,2,10H2,1H3;1H/q+1;/p-1