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

Systemtic Name: 3-[2-methyl-3,4-bis(oxidanyl)pyridin-1-ium-1-yl]propyl 2-oxidanylbenzoate chloride Openeye Name: 3-(3,4-dihydroxy-2-methyl-pyridin-1-ium-1-yl)propyl 2-hydroxybenzoate chloride CAS Name: 2-hydroxybenzoic 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 2-hydroxybenzoate chloride Traditional Name: 2-hydroxybenzoic acid 3-(3,4-dihydroxy-2-methyl-pyridin-1-ium-1-yl)propyl ester chloride Formula: C16H18ClNO5 MolecularWeight: 339.77082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC(=C1O)O)CCCOC(=O)C2=CC=CC=C2O.[Cl-]

Isomeric SMILES

CC1=[N+](C=CC(=C1O)O)CCCOC(=O)C2=CC=CC=C2O.[Cl-]

InChI

InChI=1S/C16H17NO5.ClH/c1-11-15(20)14(19)7-9-17(11)8-4-10-22-16(21)12-5-2-3-6-13(12)18;/h2-3,5-7,9H,4,8,10H2,1H3,(H2,18,20,21);1H