1-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carbonitrile bromide

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carbonitrile bromide Openeye Name: 1-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]pyridin-1-ium-4-carbonitrile bromide CAS Name: 1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-4-pyridin-1-iumcarbonitrile bromide IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]pyridin-1-ium-4-carbonitrile bromide Traditional Name: 1-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]pyridin-1-ium-4-carbonitrile bromide Formula: C16H15BrN2O3 MolecularWeight: 363.2059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N2O3.BrH/c1-20-15-4-3-13(9-16(15)21-2)14(19)11-18-7-5-12(10-17)6-8-18;/h3-9H,11H2,1-2H3;1H/q+1;/p-1