[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 4-amino-3,5,6-trichloro-pyridin-1-ium-2-carboxylate CAS Name: 4-amino-3,5,6-trichloro-2-pyridin-1-iumcarboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridin-1-ium-2-carboxylate Traditional Name: 4-amino-3,5,6-trichloro-pyridin-1-ium-2-carboxylic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H16Cl3N4O4+ MolecularWeight: 398.64954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=[NH+]C(=C(C(=C1Cl)N)Cl)Cl

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=[NH+]C(=C(C(=C1Cl)N)Cl)Cl

InChI

InChI=1S/C13H15Cl3N4O4/c1-5(2)3-18-13(23)19-6(21)4-24-12(22)10-7(14)9(17)8(15)11(16)20-10/h5H,3-4H2,1-2H3,(H2,17,20)(H2,18,19,21,23)/p+1