1-cyclohexyl-4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-but-2-yn-1-ol bromide

Systemtic Name: 1-cyclohexyl-4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-but-2-yn-1-ol bromide Openeye Name: 1-cyclohexyl-4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-but-2-yn-1-ol bromide CAS Name: 1-cyclohexyl-4-(1-methyl-1-piperidin-1-iumyl)-1-phenyl-2-butyn-1-ol bromide IUPAC Name: 1-cyclohexyl-4-(1-methylpiperidin-1-ium-1-yl)-1-phenylbut-2-yn-1-ol bromide Traditional Name: 1-cyclohexyl-4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-but-2-yn-1-ol bromide Formula: C22H32BrNO MolecularWeight: 406.39958

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC#CC(C2CCCCC2)(C3=CC=CC=C3)O.[Br-]

Isomeric SMILES

C[N+]1(CCCCC1)CC#CC(C2CCCCC2)(C3=CC=CC=C3)O.[Br-]

InChI

InChI=1S/C22H32NO.BrH/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;/h2,5-6,12-13,21,24H,3-4,7-10,14-15,17-19H2,1H3;1H/q+1;/p-1