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

Systemtic Name: ditetradecyl 2,6-dimethyl-4-(1-nonylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate bromide Openeye Name: ditetradecyl 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 ditetradecyl ester bromide IUPAC Name: ditetradecyl 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 dimyristyl ester bromide Formula: C51H89BrN2O4 MolecularWeight: 874.16736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=C[N+](=CC=C2)CCCCCCCCC)C(=O)OCCCCCCCCCCCCCC)C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=C[N+](=CC=C2)CCCCCCCCC)C(=O)OCCCCCCCCCCCCCC)C)C.[Br-]

InChI

InChI=1S/C51H88N2O4.BrH/c1-6-9-12-15-18-20-22-24-26-29-32-35-41-56-50(54)47-44(4)52-45(5)48(51(55)57-42-36-33-30-27-25-23-21-19-16-13-10-7-2)49(47)46-38-37-40-53(43-46)39-34-31-28-17-14-11-8-3;/h37-38,40,43,49H,6-36,39,41-42H2,1-5H3;1H