5-(1-methylpiperidin-1-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol iodide

Systemtic Name: 5-(1-methylpiperidin-1-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol iodide Openeye Name: 5-(1-methylpiperidin-1-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol iodide CAS Name: 5-(1-methyl-1-piperidin-1-iumyl)-1,1-diphenyl-3-pentyn-1-ol iodide IUPAC Name: 5-(1-methylpiperidin-1-ium-1-yl)-1,1-diphenylpent-3-yn-1-ol iodide Traditional Name: 5-(1-methylpiperidin-1-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol iodide Formula: C23H28INO MolecularWeight: 461.37899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28NO.HI/c1-24(18-10-4-11-19-24)20-12-9-17-23(25,21-13-5-2-6-14-21)22-15-7-3-8-16-22;/h2-3,5-8,13-16,25H,4,10-11,17-20H2,1H3;1H/q+1;/p-1