1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carbonitrile bromide

Systemtic Name: 1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carbonitrile bromide Openeye Name: 1-[2-(3-methoxyphenyl)-2-oxo-ethyl]pyridin-1-ium-3-carbonitrile bromide CAS Name: 1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-pyridin-1-iumcarbonitrile bromide IUPAC Name: 1-[2-(3-methoxyphenyl)-2-oxoethyl]pyridin-1-ium-3-carbonitrile bromide Traditional Name: 1-[2-keto-2-(3-methoxyphenyl)ethyl]pyridin-1-ium-3-carbonitrile bromide Formula: C15H13BrN2O2 MolecularWeight: 333.17992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N2O2.BrH/c1-19-14-6-2-5-13(8-14)15(18)11-17-7-3-4-12(9-16)10-17;/h2-8,10H,11H2,1H3;1H/q+1;/p-1