4-(1-methylpiperidin-1-ium-1-yl)-1,1-diphenyl-but-2-yn-1-ol iodide

Systemtic Name: 4-(1-methylpiperidin-1-ium-1-yl)-1,1-diphenyl-but-2-yn-1-ol iodide Openeye Name: 4-(1-methylpiperidin-1-ium-1-yl)-1,1-diphenyl-but-2-yn-1-ol iodide CAS Name: 4-(1-methyl-1-piperidin-1-iumyl)-1,1-diphenyl-2-butyn-1-ol iodide IUPAC Name: 4-(1-methylpiperidin-1-ium-1-yl)-1,1-diphenylbut-2-yn-1-ol iodide Traditional Name: 4-(1-methylpiperidin-1-ium-1-yl)-1,1-diphenyl-but-2-yn-1-ol iodide Formula: C22H26INO MolecularWeight: 447.35241

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[I-]

InChI

InChI=1S/C22H26NO.HI/c1-23(17-9-4-10-18-23)19-11-16-22(24,20-12-5-2-6-13-20)21-14-7-3-8-15-21;/h2-3,5-8,12-15,24H,4,9-10,17-19H2,1H3;1H/q+1;/p-1