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

Systemtic Name: 3-[2-methyl-3,4-bis(oxidanyl)pyridin-1-ium-1-yl]propyl pyridine-3-carboxylate chloride Openeye Name: 3-(3,4-dihydroxy-2-methyl-pyridin-1-ium-1-yl)propyl pyridine-3-carboxylate chloride CAS Name: 3-pyridinecarboxylic 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 pyridine-3-carboxylate chloride Traditional Name: nicotinic acid 3-(3,4-dihydroxy-2-methyl-pyridin-1-ium-1-yl)propyl ester chloride Formula: C15H17ClN2O4 MolecularWeight: 324.75948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC(=C1O)O)CCCOC(=O)C2=CN=CC=C2.[Cl-]

Isomeric SMILES

CC1=[N+](C=CC(=C1O)O)CCCOC(=O)C2=CN=CC=C2.[Cl-]

InChI

InChI=1S/C15H16N2O4.ClH/c1-11-14(19)13(18)5-8-17(11)7-3-9-21-15(20)12-4-2-6-16-10-12;/h2,4-6,8,10,19H,3,7,9H2,1H3;1H