3-[2-methyl-3,4-bis(oxidanyl)pyridin-1-ium-1-yl]propyl 5-methylpyrazine-2-carboxylate chloride

Systemtic Name: 3-[2-methyl-3,4-bis(oxidanyl)pyridin-1-ium-1-yl]propyl 5-methylpyrazine-2-carboxylate chloride Openeye Name: 3-(3,4-dihydroxy-2-methyl-pyridin-1-ium-1-yl)propyl 5-methylpyrazine-2-carboxylate chloride CAS Name: 5-methyl-2-pyrazinecarboxylic acid 3-(3,4-dihydroxy-2-methyl-1-pyridin-1-iumyl)propyl ester chloride IUPAC Name: 3-(3,4-dihydroxy-2-methylpyridin-1-ium-1-yl)propyl 5-methylpyrazine-2-carboxylate chloride Traditional Name: 5-methylpyrazinic acid 3-(3,4-dihydroxy-2-methyl-pyridin-1-ium-1-yl)propyl ester chloride Formula: C15H18ClN3O4 MolecularWeight: 339.77412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCCC[N+]2=C(C(=C(C=C2)O)O)C.[Cl-]

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCCC[N+]2=C(C(=C(C=C2)O)O)C.[Cl-]

InChI

InChI=1S/C15H17N3O4.ClH/c1-10-8-17-12(9-16-10)15(21)22-7-3-5-18-6-4-13(19)14(20)11(18)2;/h4,6,8-9,20H,3,5,7H2,1-2H3;1H