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

Systemtic Name: 3-[2-methyl-3,4-bis(oxidanyl)pyridin-1-ium-1-yl]propyl benzoate chloride Openeye Name: 3-(3,4-dihydroxy-2-methyl-pyridin-1-ium-1-yl)propyl benzoate chloride CAS Name: benzoic 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 benzoate chloride Traditional Name: benzoic acid 3-(3,4-dihydroxy-2-methyl-pyridin-1-ium-1-yl)propyl ester chloride Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4.ClH/c1-12-15(19)14(18)8-10-17(12)9-5-11-21-16(20)13-6-3-2-4-7-13;/h2-4,6-8,10,19H,5,9,11H2,1H3;1H