N-[[1-(4-oxidanyl-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]benzamide

Systemtic Name: N-[[1-(4-oxidanyl-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]benzamide Openeye Name: N-[[1-(4-hydroxy-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]benzamide CAS Name: N-[[1-(4-hydroxy-4,4-diphenylbut-2-ynyl)-1-pyrrolidin-1-iumyl]methyl]benzamide IUPAC Name: N-[[1-(4-hydroxy-4,4-diphenylbut-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]benzamide Traditional Name: N-[[1-(4-hydroxy-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl]benzamide Formula: C28H29N2O2+ MolecularWeight: 425.54206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CNC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[N+](C1)(CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O2/c31-27(24-13-4-1-5-14-24)29-23-30(20-10-11-21-30)22-12-19-28(32,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-9,13-18,32H,10-11,20-23H2/p+1