didodecyl 4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate dibromide

Systemtic Name: didodecyl 4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate dibromide Openeye Name: didodecyl 4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate dibromide CAS Name: 4-phenyl-2,6-bis(1-pyridin-1-iumylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid didodecyl ester dibromide IUPAC Name: didodecyl 4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate dibromide Traditional Name: 4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dilauryl ester dibromide Formula: C49H71Br2N3O4 MolecularWeight: 925.91374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCCCCCCCCCCCC)C[N+]3=CC=CC=C3)C[N+]4=CC=CC=C4.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCCCCCCCCCCCC)C[N+]3=CC=CC=C3)C[N+]4=CC=CC=C4.[Br-].[Br-]

InChI

InChI=1S/C49H70N3O4.2BrH/c1-3-5-7-9-11-13-15-17-19-30-38-55-48(53)46-43(40-51-34-26-22-27-35-51)50-44(41-52-36-28-23-29-37-52)47(45(46)42-32-24-21-25-33-42)49(54)56-39-31-20-18-16-14-12-10-8-6-4-2;;/h21-29,32-37,45H,3-20,30-31,38-41H2,1-2H3;2*1H/q+1;;/p-1