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

Systemtic Name: propyl 4-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C18H20N3O4+ MolecularWeight: 342.3691

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4/c1-2-10-25-18(24)13-5-7-15(8-6-13)20-16(22)12-21-9-3-4-14(11-21)17(19)23/h3-9,11H,2,10,12H2,1H3,(H2-,19,20,22,23,24)/p+1