4-[4-[[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]piperazin-1-yl]phenol

Systemtic Name: 4-[4-[[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]piperazin-1-yl]phenol Openeye Name: 4-[4-[[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]piperazin-1-yl]phenol CAS Name: 4-[4-[[4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]-1-piperazinyl]phenol IUPAC Name: 4-[4-[[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]phenol Traditional Name: 4-[4-[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]piperazino]phenol Formula: C25H36N3O3+ MolecularWeight: 426.57164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=C(C=C4)O)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=C(C=C4)O)O

InChI

InChI=1S/C25H35N3O3/c29-23-8-6-22(7-9-23)28-16-14-27(15-17-28)18-21-4-10-25(11-5-21)31-20-24(30)19-26-12-2-1-3-13-26/h4-11,24,29-30H,1-3,12-20H2/p+1/t24-/m0/s1