butyl 4-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-hydroxy-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C18H21N2O4+ MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-2-3-11-24-18(23)14-6-8-15(9-7-14)19-17(22)13-20-10-4-5-16(21)12-20/h4-10,12H,2-3,11,13H2,1H3,(H-,19,21,22,23)/p+1