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

Systemtic Name: 2-[[1-(4-oxidanyl-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]-1,2-benzoxazol-3-one Openeye Name: 2-[[1-(4-hydroxy-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]-1,2-benzoxazol-3-one CAS Name: 2-[[1-(4-hydroxy-4,4-diphenylbut-2-ynyl)-1-pyrrolidin-1-iumyl]methyl]-1,2-benzoxazol-3-one IUPAC Name: 2-[[1-(4-hydroxy-4,4-diphenylbut-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]-1,2-benzoxazol-3-one Traditional Name: 2-[[1-(4-hydroxy-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]indoxazen-3-one Formula: C28H27N2O3+ MolecularWeight: 439.52558

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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=C5O4

Isomeric SMILES

C1CC[N+](C1)(CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CN4C(=O)C5=CC=CC=C5O4

InChI

InChI=1S/C28H27N2O3/c31-27-25-16-7-8-17-26(25)33-29(27)22-30(19-9-10-20-30)21-11-18-28(32,23-12-3-1-4-13-23)24-14-5-2-6-15-24/h1-8,12-17,32H,9-10,19-22H2/q+1