dimethyl 4-oxidanyl-5-piperidin-1-ium-1-yl-1,2-diazinane-1,2-dicarboxylate chloride

Systemtic Name: dimethyl 4-oxidanyl-5-piperidin-1-ium-1-yl-1,2-diazinane-1,2-dicarboxylate chloride Openeye Name: dimethyl 4-hydroxy-5-piperidin-1-ium-1-yl-hexahydropyridazine-1,2-dicarboxylate chloride CAS Name: 4-hydroxy-5-(1-piperidin-1-iumyl)diazinane-1,2-dicarboxylic acid dimethyl ester chloride IUPAC Name: dimethyl 4-hydroxy-5-piperidin-1-ium-1-yldiazinane-1,2-dicarboxylate chloride Traditional Name: 4-hydroxy-5-piperidin-1-ium-1-yl-hexahydropyridazine-1,2-dicarboxylic acid dimethyl ester chloride Formula: C13H24ClN3O5 MolecularWeight: 337.79976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC(C(CN1C(=O)OC)O)[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

COC(=O)N1CC(C(CN1C(=O)OC)O)[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C13H23N3O5.ClH/c1-20-12(18)15-8-10(14-6-4-3-5-7-14)11(17)9-16(15)13(19)21-2;/h10-11,17H,3-9H2,1-2H3;1H