N-[(3,4-dimethoxyphenyl)methyl]-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-veratryl-acetamide Formula: C20H21N2O3+ MolecularWeight: 337.39234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c1-24-18-8-7-15(11-19(18)25-2)12-21-20(23)14-22-10-9-16-5-3-4-6-17(16)13-22/h3-11,13H,12,14H2,1-2H3/p+1