1-(3,4-dimethoxyphenyl)-2-isoquinolin-2-ium-2-yl-ethanone

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-isoquinolin-2-ium-2-yl-ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-isoquinolin-2-ium-2-yl-ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-(2-isoquinolin-2-iumyl)ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-isoquinolin-2-ium-2-ylethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-isoquinolin-2-ium-2-yl-ethanone Formula: C19H18NO3+ MolecularWeight: 308.35112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2)OC

InChI

InChI=1S/C19H18NO3/c1-22-18-8-7-15(11-19(18)23-2)17(21)13-20-10-9-14-5-3-4-6-16(14)12-20/h3-12H,13H2,1-2H3/q+1