3-methyl-5-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-pent-1-yn-3-ol iodide

Systemtic Name: 3-methyl-5-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-pent-1-yn-3-ol iodide Openeye Name: 3-methyl-5-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-pent-1-yn-3-ol iodide CAS Name: 3-methyl-5-(1-methyl-1-piperidin-1-iumyl)-1-phenyl-1-pentyn-3-ol iodide IUPAC Name: 3-methyl-5-(1-methylpiperidin-1-ium-1-yl)-1-phenylpent-1-yn-3-ol iodide Traditional Name: 3-methyl-5-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-pent-1-yn-3-ol iodide Formula: C18H26INO MolecularWeight: 399.30961

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[N+]1(CCCCC1)C)(C#CC2=CC=CC=C2)O.[I-]

Isomeric SMILES

CC(CC[N+]1(CCCCC1)C)(C#CC2=CC=CC=C2)O.[I-]

InChI

InChI=1S/C18H26NO.HI/c1-18(20,12-11-17-9-5-3-6-10-17)13-16-19(2)14-7-4-8-15-19;/h3,5-6,9-10,20H,4,7-8,13-16H2,1-2H3;1H/q+1;/p-1