N-(2-methoxyphenyl)-4-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-(2-methoxyphenyl)-4-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: 4-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide CAS Name: 4-[[2-(3-hydroxy-1-pyridin-1-iumyl)-1-oxoethyl]amino]-N-(2-methoxyphenyl)benzamide IUPAC Name: 4-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide Traditional Name: 4-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide Formula: C21H20N3O4+ MolecularWeight: 378.4012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C[N+]3=CC=CC(=C3)O

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C[N+]3=CC=CC(=C3)O

InChI

InChI=1S/C21H19N3O4/c1-28-19-7-3-2-6-18(19)23-21(27)15-8-10-16(11-9-15)22-20(26)14-24-12-4-5-17(25)13-24/h2-13H,14H2,1H3,(H2-,22,23,25,26,27)/p+1