(2S)-1-[3-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[3-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[3-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[3-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[3-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-[3-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C22H38N2O4+2 MolecularWeight: 394.54812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC(=CC=C2)OCC(C[NH+]3CCCCC3)O)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC(=CC=C2)OC[C@H](C[NH+]3CCCCC3)O)O

InChI

InChI=1S/C22H36N2O4/c25-19(15-23-10-3-1-4-11-23)17-27-21-8-7-9-22(14-21)28-18-20(26)16-24-12-5-2-6-13-24/h7-9,14,19-20,25-26H,1-6,10-13,15-18H2/p+2/t19-,20-/m0/s1