1-(1-methylcyclopentyl)-4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-but-2-yn-1-ol iodide

Systemtic Name: 1-(1-methylcyclopentyl)-4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-but-2-yn-1-ol iodide Openeye Name: 1-(1-methylcyclopentyl)-4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-but-2-yn-1-ol iodide CAS Name: 1-(1-methylcyclopentyl)-4-(1-methyl-1-piperidin-1-iumyl)-1-phenyl-2-butyn-1-ol iodide IUPAC Name: 1-(1-methylcyclopentyl)-4-(1-methylpiperidin-1-ium-1-yl)-1-phenylbut-2-yn-1-ol iodide Traditional Name: 1-(1-methylcyclopentyl)-4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-but-2-yn-1-ol iodide Formula: C22H32INO MolecularWeight: 453.40005

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC1)C(C#CC[N+]2(CCCCC2)C)(C3=CC=CC=C3)O.[I-]

Isomeric SMILES

CC1(CCCC1)C(C#CC[N+]2(CCCCC2)C)(C3=CC=CC=C3)O.[I-]

InChI

InChI=1S/C22H32NO.HI/c1-21(14-7-8-15-21)22(24,20-12-5-3-6-13-20)16-11-19-23(2)17-9-4-10-18-23;/h3,5-6,12-13,24H,4,7-10,14-15,17-19H2,1-2H3;1H/q+1;/p-1