4-[[1-(4-phenylbutyl)piperidin-1-ium-4-yl]methyl]phenol bromide

Systemtic Name: 4-[[1-(4-phenylbutyl)piperidin-1-ium-4-yl]methyl]phenol bromide Openeye Name: 4-[[1-(4-phenylbutyl)piperidin-1-ium-4-yl]methyl]phenol bromide CAS Name: 4-[[1-(4-phenylbutyl)-4-piperidin-1-iumyl]methyl]phenol bromide IUPAC Name: 4-[[1-(4-phenylbutyl)piperidin-1-ium-4-yl]methyl]phenol bromide Traditional Name: 4-[[1-(4-phenylbutyl)piperidin-1-ium-4-yl]methyl]phenol bromide Formula: C22H30BrNO MolecularWeight: 404.3837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=C(C=C2)O)CCCCC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=C(C=C2)O)CCCCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C22H29NO.BrH/c24-22-11-9-20(10-12-22)18-21-13-16-23(17-14-21)15-5-4-8-19-6-2-1-3-7-19;/h1-3,6-7,9-12,21,24H,4-5,8,13-18H2;1H