4-(1,2-dimethylpiperidin-1-ium-1-yl)-1,1-diphenyl-but-2-yn-1-ol bromide

Systemtic Name: 4-(1,2-dimethylpiperidin-1-ium-1-yl)-1,1-diphenyl-but-2-yn-1-ol bromide Openeye Name: 4-(1,2-dimethylpiperidin-1-ium-1-yl)-1,1-diphenyl-but-2-yn-1-ol bromide CAS Name: 4-(1,2-dimethyl-1-piperidin-1-iumyl)-1,1-diphenyl-2-butyn-1-ol bromide IUPAC Name: 4-(1,2-dimethylpiperidin-1-ium-1-yl)-1,1-diphenylbut-2-yn-1-ol bromide Traditional Name: 4-(1,2-dimethylpiperidin-1-ium-1-yl)-1,1-diphenyl-but-2-yn-1-ol bromide Formula: C23H28BrNO MolecularWeight: 414.37852

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[N+]1(C)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Br-]

Isomeric SMILES

CC1CCCC[N+]1(C)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Br-]

InChI

InChI=1S/C23H28NO.BrH/c1-20-12-9-10-18-24(20,2)19-11-17-23(25,21-13-5-3-6-14-21)22-15-7-4-8-16-22;/h3-8,13-16,20,25H,9-10,12,18-19H2,1-2H3;1H/q+1;/p-1