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

Systemtic Name: ditetradecyl 4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditetradecyl 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 ditetradecyl ester IUPAC Name: ditetradecyl 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 dimyristyl ester Formula: C53H79N3O4+2 MolecularWeight: 822.21206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCCCCCCCCCCCCCC)C[N+]3=CC=CC=C3)C[N+]4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCCCCCCCCCCCCCC)C[N+]3=CC=CC=C3)C[N+]4=CC=CC=C4

InChI

InChI=1S/C53H78N3O4/c1-3-5-7-9-11-13-15-17-19-21-23-34-42-59-52(57)50-47(44-55-38-30-26-31-39-55)54-48(45-56-40-32-27-33-41-56)51(49(50)46-36-28-25-29-37-46)53(58)60-43-35-24-22-20-18-16-14-12-10-8-6-4-2/h25-33,36-41,49H,3-24,34-35,42-45H2,1-2H3/q+1/p+1