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

Systemtic Name: 2-[[1-(4-oxidanyl-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[1-(4-hydroxy-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-(4-hydroxy-4,4-diphenylbut-2-ynyl)-1-pyrrolidin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-(4-hydroxy-4,4-diphenylbut-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[1-(4-hydroxy-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C29H27N2O3+ MolecularWeight: 451.53628

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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)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CC[N+](C1)(CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H27N2O3/c32-27-25-16-7-8-17-26(25)28(33)30(27)22-31(19-9-10-20-31)21-11-18-29(34,23-12-3-1-4-13-23)24-14-5-2-6-15-24/h1-8,12-17,34H,9-10,19-22H2/q+1