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1-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid bromide

1-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid bromide

Systemtic Name:1-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid bromide
Openeye Name:1-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylic acid bromide
CAS Name:1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid bromide
IUPAC Name:1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylic acid bromide
Traditional Name:1-[2-(2,5-dimethoxyphenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid bromide
Formula: C16H16BrNO5
MolecularWeight: 382.20594
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)C[N+]2=CC=CC(=C2)C(=O)O.[Br-]


Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)C[N+]2=CC=CC(=C2)C(=O)O.[Br-]


InChI

InChI=1S/C16H15NO5.BrH/c1-21-12-5-6-15(22-2)13(8-12)14(18)10-17-7-3-4-11(9-17)16(19)20;/h3-9H,10H2,1-2H3;1H


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