bis(2-propoxyethyl) 2,6-dimethyl-4-(1-propylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide

Systemtic Name: bis(2-propoxyethyl) 2,6-dimethyl-4-(1-propylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide Openeye Name: bis(2-propoxyethyl) 2,6-dimethyl-4-(1-propylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide CAS Name: 2,6-dimethyl-4-(1-propyl-3-pyridin-1-iumyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis(2-propoxyethyl) ester iodide IUPAC Name: bis(2-propoxyethyl) 2,6-dimethyl-4-(1-propylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide Traditional Name: 2,6-dimethyl-4-(1-propylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis(2-propoxyethyl) ester iodide Formula: C27H41IN2O6 MolecularWeight: 616.52871

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=CC(=C1)C2C(=C(NC(=C2C(=O)OCCOCCC)C)C)C(=O)OCCOCCC.[I-]

Isomeric SMILES

CCC[N+]1=CC=CC(=C1)C2C(=C(NC(=C2C(=O)OCCOCCC)C)C)C(=O)OCCOCCC.[I-]

InChI

InChI=1S/C27H40N2O6.HI/c1-6-11-29-12-9-10-22(19-29)25-23(26(30)34-17-15-32-13-7-2)20(4)28-21(5)24(25)27(31)35-18-16-33-14-8-3;/h9-10,12,19,25H,6-8,11,13-18H2,1-5H3;1H