ethyl 2-[(3-aminocarbonyl-1-ethyl-pyridin-1-ium-2-yl)carbonylamino]ethanoate

Systemtic Name: ethyl 2-[(3-aminocarbonyl-1-ethyl-pyridin-1-ium-2-yl)carbonylamino]ethanoate Openeye Name: ethyl 2-[(3-carbamoyl-1-ethyl-pyridin-1-ium-2-carbonyl)amino]acetate CAS Name: 2-[[(3-carbamoyl-1-ethyl-2-pyridin-1-iumyl)-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3-carbamoyl-1-ethylpyridin-1-ium-2-carbonyl)amino]acetate Traditional Name: 2-[(3-carbamoyl-1-ethyl-pyridin-1-ium-2-carbonyl)amino]acetic acid ethyl ester Formula: C13H18N3O4+ MolecularWeight: 280.29972

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC(=C1C(=O)NCC(=O)OCC)C(=O)N

Isomeric SMILES

CC[N+]1=CC=CC(=C1C(=O)NCC(=O)OCC)C(=O)N

InChI

InChI=1S/C13H17N3O4/c1-3-16-7-5-6-9(12(14)18)11(16)13(19)15-8-10(17)20-4-2/h5-7H,3-4,8H2,1-2H3,(H2-,14,15,18,19)/p+1