N-[2-[(2,3-dimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-[(2,3-dimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-[(2,3-dimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-yl]benzofuran-2-carboxamide CAS Name: N-[2-[(2,3-dimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-yl]-2-benzofurancarboxamide IUPAC Name: N-[2-[(2,3-dimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-yl]-1-benzofuran-2-carboxamide Traditional Name: N-(2-o-veratryl-1H-pyrazol-2-ium-3-yl)coumarilamide Formula: C21H20N3O4+ MolecularWeight: 378.4012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[N+]2=C(C=CN2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[N+]2=C(C=CN2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H19N3O4/c1-26-17-9-5-7-15(20(17)27-2)13-24-19(10-11-22-24)23-21(25)18-12-14-6-3-4-8-16(14)28-18/h3-12H,13H2,1-2H3,(H,22,23,25)/p+1