bis[1-methyl-3-[(3-phenoxyphenoxy)methyl]-4-phenyl-piperidin-1-ium-1-yl] ethanedioate

Systemtic Name: bis[1-methyl-3-[(3-phenoxyphenoxy)methyl]-4-phenyl-piperidin-1-ium-1-yl] ethanedioate Openeye Name: bis[1-methyl-3-[(3-phenoxyphenoxy)methyl]-4-phenyl-piperidin-1-ium-1-yl] oxalate CAS Name: oxalic acid bis[1-methyl-3-[(3-phenoxyphenoxy)methyl]-4-phenyl-1-piperidin-1-iumyl] ester IUPAC Name: bis[1-methyl-3-[(3-phenoxyphenoxy)methyl]-4-phenylpiperidin-1-ium-1-yl] oxalate Traditional Name: oxalic acid bis[1-methyl-3-[(3-phenoxyphenoxy)methyl]-4-phenyl-piperidin-1-ium-1-yl] ester Formula: C52H54N2O8+2 MolecularWeight: 834.99376

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C(C1)COC2=CC=CC(=C2)OC3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C(=O)O[N+]5(CCC(C(C5)COC6=CC=CC(=C6)OC7=CC=CC=C7)C8=CC=CC=C8)C

Isomeric SMILES

C[N+]1(CCC(C(C1)COC2=CC=CC(=C2)OC3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C(=O)O[N+]5(CCC(C(C5)COC6=CC=CC(=C6)OC7=CC=CC=C7)C8=CC=CC=C8)C

InChI

InChI=1S/C52H54N2O8/c1-53(31-29-49(39-17-7-3-8-18-39)41(35-53)37-57-45-25-15-27-47(33-45)59-43-21-11-5-12-22-43)61-51(55)52(56)62-54(2)32-30-50(40-19-9-4-10-20-40)42(36-54)38-58-46-26-16-28-48(34-46)60-44-23-13-6-14-24-44/h3-28,33-34,41-42,49-50H,29-32,35-38H2,1-2H3/q+2