ethyl 1-[2-(4-benzamidophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate bromide

Systemtic Name: ethyl 1-[2-(4-benzamidophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate bromide Openeye Name: ethyl 1-[2-(4-benzamidophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylate bromide CAS Name: 1-[2-(4-benzamidophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-[2-(4-benzamidophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylate bromide Traditional Name: 1-[2-(4-benzamidophenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid ethyl ester bromide Formula: C23H21BrN2O4 MolecularWeight: 469.32784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C[N+](=CC=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)19-9-6-14-25(15-19)16-21(26)17-10-12-20(13-11-17)24-22(27)18-7-4-3-5-8-18;/h3-15H,2,16H2,1H3;1H