5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-3-phenyl-hexan-3-ol bromide

Systemtic Name: 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-3-phenyl-hexan-3-ol bromide Openeye Name: 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-3-phenyl-hexan-3-ol bromide CAS Name: 5-methyl-1-(1-methyl-1-piperidin-1-iumyl)-3-phenyl-3-hexanol bromide IUPAC Name: 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-3-phenylhexan-3-ol bromide Traditional Name: 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-3-phenyl-hexan-3-ol bromide Formula: C19H32BrNO MolecularWeight: 370.36748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC[N+]1(CCCCC1)C)(C2=CC=CC=C2)O.[Br-]

Isomeric SMILES

CC(C)CC(CC[N+]1(CCCCC1)C)(C2=CC=CC=C2)O.[Br-]

InChI

InChI=1S/C19H32NO.BrH/c1-17(2)16-19(21,18-10-6-4-7-11-18)12-15-20(3)13-8-5-9-14-20;/h4,6-7,10-11,17,21H,5,8-9,12-16H2,1-3H3;1H/q+1;/p-1