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

Systemtic Name: ethyl 1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-[2-(4-bromophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-(4-bromophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-(4-bromophenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C16H15BrNO3+ MolecularWeight: 349.1992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrNO3/c1-2-21-16(20)13-4-3-9-18(10-13)11-15(19)12-5-7-14(17)8-6-12/h3-10H,2,11H2,1H3/q+1