ethyl 1-[2-(4-benzamidophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carboxylate bromide

Systemtic Name: ethyl 1-[2-(4-benzamidophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carboxylate bromide Openeye Name: ethyl 1-[2-(4-benzamidophenyl)-2-oxo-ethyl]pyridin-1-ium-4-carboxylate bromide CAS Name: 1-[2-(4-benzamidophenyl)-2-oxoethyl]-4-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-[2-(4-benzamidophenyl)-2-oxoethyl]pyridin-1-ium-4-carboxylate bromide Traditional Name: 1-[2-(4-benzamidophenyl)-2-keto-ethyl]pyridin-1-ium-4-carboxylic acid ethyl ester bromide Formula: C23H21BrN2O4 MolecularWeight: 469.32784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCOC(=O)C1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C23H20N2O4.BrH/c1-2-29-23(28)19-12-14-25(15-13-19)16-21(26)17-8-10-20(11-9-17)24-22(27)18-6-4-3-5-7-18;/h3-15H,2,16H2,1H3;1H