N-(3,5-dimethoxyphenyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C19H19N2O3+ MolecularWeight: 323.36576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3/c1-23-17-9-16(10-18(11-17)24-2)20-19(22)13-21-8-7-14-5-3-4-6-15(14)12-21/h3-12H,13H2,1-2H3/p+1