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

Systemtic Name: 1-cyclohexyl-4-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-but-2-yn-1-ol bromide Openeye Name: 1-cyclohexyl-4-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-but-2-yn-1-ol bromide CAS Name: 1-cyclohexyl-4-(1-methyl-1-pyrrolidin-1-iumyl)-1-phenyl-2-butyn-1-ol bromide IUPAC Name: 1-cyclohexyl-4-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylbut-2-yn-1-ol bromide Traditional Name: 1-cyclohexyl-4-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-but-2-yn-1-ol bromide Formula: C21H30BrNO MolecularWeight: 392.373

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC#CC(C2CCCCC2)(C3=CC=CC=C3)O.[Br-]

Isomeric SMILES

C[N+]1(CCCC1)CC#CC(C2CCCCC2)(C3=CC=CC=C3)O.[Br-]

InChI

InChI=1S/C21H30NO.BrH/c1-22(16-8-9-17-22)18-10-15-21(23,19-11-4-2-5-12-19)20-13-6-3-7-14-20;/h2,4-5,11-12,20,23H,3,6-9,13-14,16-18H2,1H3;1H/q+1;/p-1