3-[2-methyl-3,4-bis(oxidanyl)pyridin-1-ium-1-yl]propyl 6-methylpyridine-3-carboxylate

Systemtic Name: 3-[2-methyl-3,4-bis(oxidanyl)pyridin-1-ium-1-yl]propyl 6-methylpyridine-3-carboxylate Openeye Name: 3-(3,4-dihydroxy-2-methyl-pyridin-1-ium-1-yl)propyl 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic 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 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid 3-(3,4-dihydroxy-2-methyl-pyridin-1-ium-1-yl)propyl ester Formula: C16H19N2O4+ MolecularWeight: 303.33306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4/c1-11-4-5-13(10-17-11)16(21)22-9-3-7-18-8-6-14(19)15(20)12(18)2/h4-6,8,10,20H,3,7,9H2,1-2H3/p+1