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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-carbonitrile bromide Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-carbonitrile bromide CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-1-iumcarbonitrile bromide IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-carbonitrile bromide Traditional Name: 1-homoveratrylpyridin-1-ium-3-carbonitrile bromide Formula: C16H17BrN2O2 MolecularWeight: 349.22238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N2O2.BrH/c1-19-15-6-5-13(10-16(15)20-2)7-9-18-8-3-4-14(11-17)12-18;/h3-6,8,10,12H,7,9H2,1-2H3;1H/q+1;/p-1