bis[(E)-octadec-9-enyl] 4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis[(E)-octadec-9-enyl] 4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis[(E)-octadec-9-enyl] 4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-phenyl-2,6-bis(1-pyridin-1-iumylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis[(E)-octadec-9-enyl] ester IUPAC Name: bis[(E)-octadec-9-enyl] 4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis[(E)-octadec-9-enyl] ester Formula: C61H91N3O4+2 MolecularWeight: 930.39294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCCCCCCCCC=CCCCCCCCC)C[N+]3=CC=CC=C3)C[N+]4=CC=CC=C4

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCCCCCCCC/C=C/CCCCCCCC)C[N+]3=CC=CC=C3)C[N+]4=CC=CC=C4

InChI

InChI=1S/C61H90N3O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-42-50-67-60(65)58-55(52-63-46-38-34-39-47-63)62-56(53-64-48-40-35-41-49-64)59(57(58)54-44-36-33-37-45-54)61(66)68-51-43-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,33-41,44-49,57H,3-16,21-32,42-43,50-53H2,1-2H3/q+1/p+1/b19-17+,20-18+