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

Systemtic Name: bis(2-propoxyethyl) 4-(1-hexadecylpyridin-1-ium-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate bromide Openeye Name: bis(2-propoxyethyl) 4-(1-hexadecylpyridin-1-ium-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate bromide CAS Name: 4-(1-hexadecyl-3-pyridin-1-iumyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis(2-propoxyethyl) ester bromide IUPAC Name: bis(2-propoxyethyl) 4-(1-hexadecylpyridin-1-ium-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate bromide Traditional Name: 4-(1-cetylpyridin-1-ium-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis(2-propoxyethyl) ester bromide Formula: C40H67BrN2O6 MolecularWeight: 751.87378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H66N2O6.BrH/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-24-42-25-22-23-35(32-42)38-36(39(43)47-30-28-45-26-7-2)33(4)41-34(5)37(38)40(44)48-31-29-46-27-8-3;/h22-23,25,32,38H,6-21,24,26-31H2,1-5H3;1H