azanylazanium; (4-oxidanylidene-4-pyridin-3-ylcarbonyloxy-butanimidoyl) pyridine-3-carboxylate; hydrochloride

Systemtic Name: azanylazanium; (4-oxidanylidene-4-pyridin-3-ylcarbonyloxy-butanimidoyl) pyridine-3-carboxylate; hydrochloride Openeye Name: aminoammonium; [4-oxo-4-(pyridine-3-carbonyloxy)butanimidoyl] pyridine-3-carboxylate; hydrochloride CAS Name: aminoammonium; 3-pyridinecarboxylic acid [1-imino-4-oxo-4-[oxo(3-pyridinyl)methoxy]butyl] ester; hydrochloride IUPAC Name: aminoazanium; [4-oxo-4-(pyridine-3-carbonyloxy)butanimidoyl] pyridine-3-carboxylate; hydrochloride Traditional Name: aminoammonium; nicotinic acid (4-keto-4-nicotinoyloxy-butanimidoyl) ester; hydrochloride Formula: C16H19ClN5O5+ MolecularWeight: 396.80556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OC(=N)CCC(=O)OC(=O)C2=CN=CC=C2.[NH3+]N.Cl

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OC(=N)CCC(=O)OC(=O)C2=CN=CC=C2.[NH3+]N.Cl

InChI

InChI=1S/C16H13N3O5.ClH.H4N2/c17-13(23-15(21)11-3-1-7-18-9-11)5-6-14(20)24-16(22)12-4-2-8-19-10-12;;1-2/h1-4,7-10,17H,5-6H2;1H;1-2H2/p+1