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

Systemtic Name: diethyl 4-(1-hexadecylpyridin-1-ium-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate bromide Openeye Name: diethyl 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 diethyl ester bromide IUPAC Name: diethyl 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 diethyl ester bromide Formula: C34H55BrN2O4 MolecularWeight: 635.7155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H54N2O4.BrH/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-24-36-25-22-23-29(26-36)32-30(33(37)39-7-2)27(4)35-28(5)31(32)34(38)40-8-3;/h22-23,25-26,32H,6-21,24H2,1-5H3;1H