ethyl 2-methyl-1-(2-phenylethanoyl)pyridin-1-ium-4-carboxylate bromide

Systemtic Name: ethyl 2-methyl-1-(2-phenylethanoyl)pyridin-1-ium-4-carboxylate bromide Openeye Name: ethyl 2-methyl-1-(2-phenylacetyl)pyridin-1-ium-4-carboxylate bromide CAS Name: 2-methyl-1-(1-oxo-2-phenylethyl)-4-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 2-methyl-1-(2-phenylacetyl)pyridin-1-ium-4-carboxylate bromide Traditional Name: 2-methyl-1-(2-phenylacetyl)pyridin-1-ium-4-carboxylic acid ethyl ester bromide Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=[N+](C=C1)C(=O)CC2=CC=CC=C2)C.[Br-]

Isomeric SMILES

CCOC(=O)C1=CC(=[N+](C=C1)C(=O)CC2=CC=CC=C2)C.[Br-]

InChI

InChI=1S/C17H18NO3.BrH/c1-3-21-17(20)15-9-10-18(13(2)11-15)16(19)12-14-7-5-4-6-8-14;/h4-11H,3,12H2,1-2H3;1H/q+1;/p-1