N-(2,6-dimethylphenyl)-2-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[2-(3-hydroxy-1-pyridin-1-iumyl)-1-oxoethyl]amino]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]acetamide Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C[N+]2=CC=CC(=C2)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C[N+]2=CC=CC(=C2)O

InChI

InChI=1S/C17H19N3O3/c1-12-5-3-6-13(2)17(12)19-15(22)9-18-16(23)11-20-8-4-7-14(21)10-20/h3-8,10H,9,11H2,1-2H3,(H2-,18,19,21,22,23)/p+1