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

Systemtic Name: 1,1-diphenyl-4-(1-propylpiperidin-1-ium-1-yl)but-2-yn-1-ol bromide Openeye Name: 1,1-diphenyl-4-(1-propylpiperidin-1-ium-1-yl)but-2-yn-1-ol bromide CAS Name: 1,1-diphenyl-4-(1-propyl-1-piperidin-1-iumyl)-2-butyn-1-ol bromide IUPAC Name: 1,1-diphenyl-4-(1-propylpiperidin-1-ium-1-yl)but-2-yn-1-ol bromide Traditional Name: 1,1-diphenyl-4-(1-propylpiperidin-1-ium-1-yl)but-2-yn-1-ol bromide Formula: C24H30BrNO MolecularWeight: 428.4051

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCCCC1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Br-]

Isomeric SMILES

CCC[N+]1(CCCCC1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Br-]

InChI

InChI=1S/C24H30NO.BrH/c1-2-18-25(19-10-5-11-20-25)21-12-17-24(26,22-13-6-3-7-14-22)23-15-8-4-9-16-23;/h3-4,6-9,13-16,26H,2,5,10-11,18-21H2,1H3;1H/q+1;/p-1