2-[1-(4-oxidanyl-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]ethanamide bromide

Systemtic Name: 2-[1-(4-oxidanyl-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]ethanamide bromide Openeye Name: 2-[1-(4-hydroxy-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]acetamide bromide CAS Name: 2-[1-(4-hydroxy-4,4-diphenylbut-2-ynyl)-1-pyrrolidin-1-iumyl]acetamide bromide IUPAC Name: 2-[1-(4-hydroxy-4,4-diphenylbut-2-ynyl)pyrrolidin-1-ium-1-yl]acetamide bromide Traditional Name: 2-[1-(4-hydroxy-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]acetamide bromide Formula: C22H25BrN2O2 MolecularWeight: 429.3501

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC(=O)N.[Br-]

Isomeric SMILES

C1CC[N+](C1)(CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC(=O)N.[Br-]

InChI

InChI=1S/C22H24N2O2.BrH/c23-21(25)18-24(15-7-8-16-24)17-9-14-22(26,19-10-3-1-4-11-19)20-12-5-2-6-13-20;/h1-6,10-13,26H,7-8,15-18H2,(H-,23,25);1H