2-[(3,4-dimethoxyphenyl)methyl]isoquinolin-2-ium-1-carbonitrile bromide

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]isoquinolin-2-ium-1-carbonitrile bromide Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]isoquinolin-2-ium-1-carbonitrile bromide CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-1-isoquinolin-2-iumcarbonitrile bromide IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]isoquinolin-2-ium-1-carbonitrile bromide Traditional Name: 2-veratrylisoquinolin-2-ium-1-carbonitrile bromide Formula: C19H17BrN2O2 MolecularWeight: 385.25448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[N+]2=C(C3=CC=CC=C3C=C2)C#N)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[N+]2=C(C3=CC=CC=C3C=C2)C#N)OC.[Br-]

InChI

InChI=1S/C19H17N2O2.BrH/c1-22-18-8-7-14(11-19(18)23-2)13-21-10-9-15-5-3-4-6-16(15)17(21)12-20;/h3-11H,13H2,1-2H3;1H/q+1;/p-1