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

Systemtic Name: 3-[2-methyl-3,4-bis(oxidanyl)pyridin-1-ium-1-yl]propyl 4-oxidanylbenzoate Openeye Name: 3-(3,4-dihydroxy-2-methyl-pyridin-1-ium-1-yl)propyl 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid 3-(3,4-dihydroxy-2-methyl-1-pyridin-1-iumyl)propyl ester IUPAC Name: 3-(3,4-dihydroxy-2-methylpyridin-1-ium-1-yl)propyl 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid 3-(3,4-dihydroxy-2-methyl-pyridin-1-ium-1-yl)propyl ester Formula: C16H18NO5+ MolecularWeight: 304.31782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO5/c1-11-15(20)14(19)7-9-17(11)8-2-10-22-16(21)12-3-5-13(18)6-4-12/h3-7,9H,2,8,10H2,1H3,(H2,18,20,21)/p+1