didodecyl 1-hexyl-4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: didodecyl 1-hexyl-4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: didodecyl 1-hexyl-4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-hexyl-4-phenyl-2,6-bis(1-pyridin-1-iumylmethyl)-4H-pyridine-3,5-dicarboxylic acid didodecyl ester IUPAC Name: didodecyl 1-hexyl-4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-hexyl-4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylic acid dilauryl ester Formula: C55H83N3O4+2 MolecularWeight: 850.26522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2)C(=O)OCCCCCCCCCCCC)C[N+]3=CC=CC=C3)CCCCCC)C[N+]4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2)C(=O)OCCCCCCCCCCCC)C[N+]3=CC=CC=C3)CCCCCC)C[N+]4=CC=CC=C4

InChI

InChI=1S/C55H83N3O4/c1-4-7-10-13-15-17-19-21-23-35-44-61-54(59)52-49(46-56-39-30-26-31-40-56)58(43-34-12-9-6-3)50(47-57-41-32-27-33-42-57)53(51(52)48-37-28-25-29-38-48)55(60)62-45-36-24-22-20-18-16-14-11-8-5-2/h25-33,37-42,51H,4-24,34-36,43-47H2,1-3H3/q+2