1,3-bis[[1-(4-oxidanyl-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]-5,5-diphenyl-imidazolidine-2,4-dione

Systemtic Name: 1,3-bis[[1-(4-oxidanyl-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]-5,5-diphenyl-imidazolidine-2,4-dione Openeye Name: 1,3-bis[[1-(4-hydroxy-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]-5,5-diphenyl-imidazolidine-2,4-dione CAS Name: 1,3-bis[[1-(4-hydroxy-4,4-diphenylbut-2-ynyl)-1-pyrrolidin-1-iumyl]methyl]-5,5-diphenylimidazolidine-2,4-dione IUPAC Name: 1,3-bis[[1-(4-hydroxy-4,4-diphenylbut-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione Traditional Name: 1,3-bis[[1-(4-hydroxy-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]-5,5-diphenyl-hydantoin Formula: C57H56N4O4+2 MolecularWeight: 861.07894

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CN4C(=O)C(N(C4=O)C[N+]5(CCCC5)CC#CC(C6=CC=CC=C6)(C7=CC=CC=C7)O)(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

C1CC[N+](C1)(CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CN4C(=O)C(N(C4=O)C[N+]5(CCCC5)CC#CC(C6=CC=CC=C6)(C7=CC=CC=C7)O)(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C57H56N4O4/c62-53-57(51-33-15-5-16-34-51,52-35-17-6-18-36-52)59(46-61(41-21-22-42-61)44-24-38-56(65,49-29-11-3-12-30-49)50-31-13-4-14-32-50)54(63)58(53)45-60(39-19-20-40-60)43-23-37-55(64,47-25-7-1-8-26-47)48-27-9-2-10-28-48/h1-18,25-36,64-65H,19-22,39-46H2/q+2