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

Systemtic Name: ditetradecyl 4-(1-butylpyridin-1-ium-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate bromide Openeye Name: ditetradecyl 4-(1-butylpyridin-1-ium-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate bromide CAS Name: 4-(1-butyl-3-pyridin-1-iumyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid ditetradecyl ester bromide IUPAC Name: ditetradecyl 4-(1-butylpyridin-1-ium-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate bromide Traditional Name: 4-(1-butylpyridin-1-ium-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimyristyl ester bromide Formula: C46H79BrN2O4 MolecularWeight: 804.03446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H78N2O4.BrH/c1-6-9-12-14-16-18-20-22-24-26-28-30-36-51-45(49)42-39(4)47-40(5)43(44(42)41-33-32-35-48(38-41)34-11-8-3)46(50)52-37-31-29-27-25-23-21-19-17-15-13-10-7-2;/h32-33,35,38,44H,6-31,34,36-37H2,1-5H3;1H