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

Systemtic Name: 1-cyclohexyl-1-phenyl-4-(1-propylpiperidin-1-ium-1-yl)but-2-yn-1-ol bromide Openeye Name: 1-cyclohexyl-1-phenyl-4-(1-propylpiperidin-1-ium-1-yl)but-2-yn-1-ol bromide CAS Name: 1-cyclohexyl-1-phenyl-4-(1-propyl-1-piperidin-1-iumyl)-2-butyn-1-ol bromide IUPAC Name: 1-cyclohexyl-1-phenyl-4-(1-propylpiperidin-1-ium-1-yl)but-2-yn-1-ol bromide Traditional Name: 1-cyclohexyl-1-phenyl-4-(1-propylpiperidin-1-ium-1-yl)but-2-yn-1-ol bromide Formula: C24H36BrNO MolecularWeight: 434.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36NO.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;/h3,6-7,13-14,23,26H,2,4-5,8-11,15-16,18-21H2,1H3;1H/q+1;/p-1