bis[3-[1-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)piperidin-1-ium-1-yl]propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate

Systemtic Name: bis[3-[1-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)piperidin-1-ium-1-yl]propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate Openeye Name: bis[3-[1-[2-(2-naphthyl)-2-oxo-ethyl]piperidin-1-ium-1-yl]propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate CAS Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[3-[1-[2-(2-naphthalenyl)-2-oxoethyl]-1-piperidin-1-iumyl]propyl] ester IUPAC Name: bis[3-[1-(2-naphthalen-2-yl-2-oxoethyl)piperidin-1-ium-1-yl]propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate Traditional Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[3-[1-[2-keto-2-(2-naphthyl)ethyl]piperidin-1-ium-1-yl]propyl] ester Formula: C58H64N2O6+2 MolecularWeight: 885.13856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[N+]4(CCCCC4)CC(=O)C5=CC6=CC=CC=C6C=C5)C7=CC=CC=C7)CC(=O)C8=CC9=CC=CC=C9C=C8

Isomeric SMILES

C1CC[N+](CC1)(CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[N+]4(CCCCC4)CC(=O)C5=CC6=CC=CC=C6C=C5)C7=CC=CC=C7)CC(=O)C8=CC9=CC=CC=C9C=C8

InChI

InChI=1S/C58H64N2O6/c61-51(49-29-27-43-19-9-11-25-47(43)39-49)41-59(31-13-3-14-32-59)35-17-37-65-57(63)55-53(45-21-5-1-6-22-45)56(54(55)46-23-7-2-8-24-46)58(64)66-38-18-36-60(33-15-4-16-34-60)42-52(62)50-30-28-44-20-10-12-26-48(44)40-50/h1-2,5-12,19-30,39-40,53-56H,3-4,13-18,31-38,41-42H2/q+2