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

Systemtic Name: butyl 4-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-carbamoyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C19H22N3O4+ MolecularWeight: 356.39568

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c1-2-3-11-26-19(25)14-6-8-16(9-7-14)21-17(23)13-22-10-4-5-15(12-22)18(20)24/h4-10,12H,2-3,11,13H2,1H3,(H2-,20,21,23,24,25)/p+1