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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethanoyl-pyridin-1-ium-4-carbonitrile bromide Openeye Name: 3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-4-carbonitrile bromide CAS Name: 3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-1-iumcarbonitrile bromide IUPAC Name: 3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-4-carbonitrile bromide Traditional Name: 3-acetyl-1-homoveratryl-pyridin-1-ium-4-carbonitrile bromide Formula: C18H19BrN2O3 MolecularWeight: 391.25906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C[N+](=C1)CCC2=CC(=C(C=C2)OC)OC)C#N.[Br-]

Isomeric SMILES

CC(=O)C1=C(C=C[N+](=C1)CCC2=CC(=C(C=C2)OC)OC)C#N.[Br-]

InChI

InChI=1S/C18H19N2O3.BrH/c1-13(21)16-12-20(9-7-15(16)11-19)8-6-14-4-5-17(22-2)18(10-14)23-3;/h4-5,7,9-10,12H,6,8H2,1-3H3;1H/q+1;/p-1