2-isoquinolin-2-ium-2-yl-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-(3-methoxyphenyl)acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-(3-methoxyphenyl)acetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-(3-methoxyphenyl)acetamide Formula: C18H17N2O2+ MolecularWeight: 293.33978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O2/c1-22-17-8-4-7-16(11-17)19-18(21)13-20-10-9-14-5-2-3-6-15(14)12-20/h2-12H,13H2,1H3/p+1