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

Systemtic Name: 4-[1-(4-phenylbutyl)piperidin-1-ium-4-yl]phenol bromide Openeye Name: 4-[1-(4-phenylbutyl)piperidin-1-ium-4-yl]phenol bromide CAS Name: 4-[1-(4-phenylbutyl)-4-piperidin-1-iumyl]phenol bromide IUPAC Name: 4-[1-(4-phenylbutyl)piperidin-1-ium-4-yl]phenol bromide Traditional Name: 4-[1-(4-phenylbutyl)piperidin-1-ium-4-yl]phenol bromide Formula: C21H28BrNO MolecularWeight: 390.35712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=C(C=C2)O)CCCCC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1C[NH+](CCC1C2=CC=C(C=C2)O)CCCCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H27NO.BrH/c23-21-11-9-19(10-12-21)20-13-16-22(17-14-20)15-5-4-8-18-6-2-1-3-7-18;/h1-3,6-7,9-12,20,23H,4-5,8,13-17H2;1H