4-(1-methylpyrrolidin-1-ium-1-yl)-1,1-diphenyl-but-2-yn-1-ol bromide

Systemtic Name: 4-(1-methylpyrrolidin-1-ium-1-yl)-1,1-diphenyl-but-2-yn-1-ol bromide Openeye Name: 4-(1-methylpyrrolidin-1-ium-1-yl)-1,1-diphenyl-but-2-yn-1-ol bromide CAS Name: 4-(1-methyl-1-pyrrolidin-1-iumyl)-1,1-diphenyl-2-butyn-1-ol bromide IUPAC Name: 4-(1-methylpyrrolidin-1-ium-1-yl)-1,1-diphenylbut-2-yn-1-ol bromide Traditional Name: 4-(1-methylpyrrolidin-1-ium-1-yl)-1,1-diphenyl-but-2-yn-1-ol bromide Formula: C21H24BrNO MolecularWeight: 386.32536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Br-]

Isomeric SMILES

C[N+]1(CCCC1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Br-]

InChI

InChI=1S/C21H24NO.BrH/c1-22(16-8-9-17-22)18-10-15-21(23,19-11-4-2-5-12-19)20-13-6-3-7-14-20;/h2-7,11-14,23H,8-9,16-18H2,1H3;1H/q+1;/p-1