1-[1-[(4-bromophenyl)methyl]-4-phenyl-piperidin-1-ium-1-yl]hexan-2-ol bromide

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]-4-phenyl-piperidin-1-ium-1-yl]hexan-2-ol bromide Openeye Name: 1-[1-[(4-bromophenyl)methyl]-4-phenyl-piperidin-1-ium-1-yl]hexan-2-ol bromide CAS Name: 1-[1-[(4-bromophenyl)methyl]-4-phenyl-1-piperidin-1-iumyl]-2-hexanol bromide IUPAC Name: 1-[1-[(4-bromophenyl)methyl]-4-phenylpiperidin-1-ium-1-yl]hexan-2-ol bromide Traditional Name: 1-[1-(4-bromobenzyl)-4-phenyl-piperidin-1-ium-1-yl]hexan-2-ol bromide Formula: C24H33Br2NO MolecularWeight: 511.33292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C[N+]1(CCC(CC1)C2=CC=CC=C2)CC3=CC=C(C=C3)Br)O.[Br-]

Isomeric SMILES

CCCCC(C[N+]1(CCC(CC1)C2=CC=CC=C2)CC3=CC=C(C=C3)Br)O.[Br-]

InChI

InChI=1S/C24H33BrNO.BrH/c1-2-3-9-24(27)19-26(18-20-10-12-23(25)13-11-20)16-14-22(15-17-26)21-7-5-4-6-8-21;/h4-8,10-13,22,24,27H,2-3,9,14-19H2,1H3;1H/q+1;/p-1