propyl 4-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: propyl 4-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-acetyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]benzoic acid propyl ester Formula: C19H21N2O4+ MolecularWeight: 341.38104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4/c1-3-11-25-19(24)15-6-8-17(9-7-15)20-18(23)13-21-10-4-5-16(12-21)14(2)22/h4-10,12H,3,11,13H2,1-2H3/p+1