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

Systemtic Name: 1-[[1-(4-oxidanyl-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]pyrrolidine-2,5-dione Openeye Name: 1-[[1-(4-hydroxy-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]pyrrolidine-2,5-dione CAS Name: 1-[[1-(4-hydroxy-4,4-diphenylbut-2-ynyl)-1-pyrrolidin-1-iumyl]methyl]pyrrolidine-2,5-dione IUPAC Name: 1-[[1-(4-hydroxy-4,4-diphenylbut-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]pyrrolidine-2,5-dione Traditional Name: 1-[[1-(4-hydroxy-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]pyrrolidine-2,5-quinone Formula: C25H27N2O3+ MolecularWeight: 403.49348

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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)CCC4=O

Isomeric SMILES

C1CC[N+](C1)(CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CN4C(=O)CCC4=O

InChI

InChI=1S/C25H27N2O3/c28-23-14-15-24(29)26(23)20-27(17-7-8-18-27)19-9-16-25(30,21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-6,10-13,30H,7-8,14-15,17-20H2/q+1