O3-ethyl O5-methyl 2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-pyridin-1-ium-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl 2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-pyridin-1-ium-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-pyridin-1-ium-3,5-dicarboxylate CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyridin-1-ium-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyridin-1-ium-3,5-dicarboxylate Traditional Name: 2-methyl-6-(piperonylamino)pyridin-1-ium-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C19H21N2O6+ MolecularWeight: 373.37984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C(=O)OC)C)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C(=O)OC)C)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H20N2O6/c1-4-25-19(23)14-8-13(18(22)24-3)11(2)21-17(14)20-9-12-5-6-15-16(7-12)27-10-26-15/h5-8H,4,9-10H2,1-3H3,(H,20,21)/p+1