1,2-dimethoxy-1-methyl-pyrrolo[2,3-b]pyridin-1-ium-5,6-dicarboxylic acid

Systemtic Name: 1,2-dimethoxy-1-methyl-pyrrolo[2,3-b]pyridin-1-ium-5,6-dicarboxylic acid Openeye Name: 1,2-dimethoxy-1-methyl-pyrrolo[2,3-b]pyridin-1-ium-5,6-dicarboxylic acid CAS Name: 1,2-dimethoxy-1-methylpyrrolo[2,3-b]pyridin-1-ium-5,6-dicarboxylic acid IUPAC Name: 1,2-dimethoxy-1-methylpyrrolo[2,3-b]pyridin-1-ium-5,6-dicarboxylic acid Traditional Name: 1,2-dimethoxy-1-methyl-pyrrolo[2,3-b]pyridin-1-ium-5,6-dicarboxylic acid Formula: C12H13N2O6+ MolecularWeight: 281.24142

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=CC2=CC(=C(N=C21)C(=O)O)C(=O)O)OC)OC

Isomeric SMILES

C[N+]1(C(=CC2=CC(=C(N=C21)C(=O)O)C(=O)O)OC)OC

InChI

InChI=1S/C12H12N2O6/c1-14(20-3)8(19-2)5-6-4-7(11(15)16)9(12(17)18)13-10(6)14/h4-5H,1-3H3,(H-,15,16,17,18)/p+1