dimethyl 2-[3-(diethylcarbamoyl)pyridin-1-ium-4-yl]propanedioate bromide

Systemtic Name: dimethyl 2-[3-(diethylcarbamoyl)pyridin-1-ium-4-yl]propanedioate bromide Openeye Name: dimethyl 2-[3-(diethylcarbamoyl)pyridin-1-ium-4-yl]propanedioate bromide CAS Name: 2-[3-[diethylamino(oxo)methyl]-4-pyridin-1-iumyl]propanedioic acid dimethyl ester bromide IUPAC Name: dimethyl 2-[3-(diethylcarbamoyl)pyridin-1-ium-4-yl]propanedioate bromide Traditional Name: 2-[3-(diethylcarbamoyl)pyridin-1-ium-4-yl]malonic acid dimethyl ester bromide Formula: C15H21BrN2O5 MolecularWeight: 389.24164

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=C[NH+]=C1)C(C(=O)OC)C(=O)OC.[Br-]

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=C[NH+]=C1)C(C(=O)OC)C(=O)OC.[Br-]

InChI

InChI=1S/C15H20N2O5.BrH/c1-5-17(6-2)13(18)11-9-16-8-7-10(11)12(14(19)21-3)15(20)22-4;/h7-9,12H,5-6H2,1-4H3;1H