diethyl 2,6-dimethyl-4-(1-nonylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate bromide

Systemtic Name: diethyl 2,6-dimethyl-4-(1-nonylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate bromide Openeye Name: diethyl 2,6-dimethyl-4-(1-nonylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate bromide CAS Name: 2,6-dimethyl-4-(1-nonyl-3-pyridin-1-iumyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester bromide IUPAC Name: diethyl 2,6-dimethyl-4-(1-nonylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate bromide Traditional Name: 2,6-dimethyl-4-(1-nonylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester bromide Formula: C27H41BrN2O4 MolecularWeight: 537.52944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[N+]1=CC=CC(=C1)C2C(=C(NC(=C2C(=O)OCC)C)C)C(=O)OCC.[Br-]

Isomeric SMILES

CCCCCCCCC[N+]1=CC=CC(=C1)C2C(=C(NC(=C2C(=O)OCC)C)C)C(=O)OCC.[Br-]

InChI

InChI=1S/C27H40N2O4.BrH/c1-6-9-10-11-12-13-14-17-29-18-15-16-22(19-29)25-23(26(30)32-7-2)20(4)28-21(5)24(25)27(31)33-8-3;/h15-16,18-19,25H,6-14,17H2,1-5H3;1H