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

Systemtic Name: didecyl 4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate dibromide Openeye Name: didecyl 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 didecyl ester dibromide IUPAC Name: didecyl 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 didecyl ester dibromide Formula: C45H63Br2N3O4 MolecularWeight: 869.80742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H62N3O4.2BrH/c1-3-5-7-9-11-13-15-26-34-51-44(49)42-39(36-47-30-22-18-23-31-47)46-40(37-48-32-24-19-25-33-48)43(41(42)38-28-20-17-21-29-38)45(50)52-35-27-16-14-12-10-8-6-4-2;;/h17-25,28-33,41H,3-16,26-27,34-37H2,1-2H3;2*1H/q+1;;/p-1