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

Systemtic Name: ditetradecyl 4-(1-hexadecylpyridin-1-ium-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate bromide Openeye Name: ditetradecyl 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 ditetradecyl ester bromide IUPAC Name: ditetradecyl 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 dimyristyl ester bromide Formula: C58H103BrN2O4 MolecularWeight: 972.35342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H102N2O4.BrH/c1-6-9-12-15-18-21-24-27-28-29-32-35-38-41-46-60-47-44-45-53(50-60)56-54(57(61)63-48-42-39-36-33-30-25-22-19-16-13-10-7-2)51(4)59-52(5)55(56)58(62)64-49-43-40-37-34-31-26-23-20-17-14-11-8-3;/h44-45,47,50,56H,6-43,46,48-49H2,1-5H3;1H