2-[2-methyl-3,6-bis(oxidanyl)pyridin-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[2-methyl-3,6-bis(oxidanyl)pyridin-1-ium-1-yl]propanoic acid Openeye Name: 2-(3,6-dihydroxy-2-methyl-pyridin-1-ium-1-yl)propanoic acid CAS Name: 2-(3,6-dihydroxy-2-methyl-1-pyridin-1-iumyl)propanoic acid IUPAC Name: 2-(3,6-dihydroxy-2-methylpyridin-1-ium-1-yl)propanoic acid Traditional Name: 2-(3,6-dihydroxy-2-methyl-pyridin-1-ium-1-yl)propionic acid Formula: C9H12NO4+ MolecularWeight: 198.19588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=[N+]1C(C)C(=O)O)O)O

Isomeric SMILES

CC1=C(C=CC(=[N+]1C(C)C(=O)O)O)O

InChI

InChI=1S/C9H11NO4/c1-5-7(11)3-4-8(12)10(5)6(2)9(13)14/h3-4,6H,1-2H3,(H2,11,13,14)/p+1