(2R)-1-[2-methoxy-5-[(4-methoxypiperidin-1-ium-1-yl)methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2R)-1-[2-methoxy-5-[(4-methoxypiperidin-1-ium-1-yl)methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2R)-1-[2-methoxy-5-[(4-methoxypiperidin-1-ium-1-yl)methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2R)-1-[2-methoxy-5-[(4-methoxy-1-piperidin-1-iumyl)methyl]phenoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-[2-methoxy-5-[(4-methoxypiperidin-1-ium-1-yl)methyl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2R)-1-[2-methoxy-5-[(4-methoxypiperidin-1-ium-1-yl)methyl]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:

COC1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

COC1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C22H36N2O4/c1-26-20-8-12-24(13-9-20)15-18-6-7-21(27-2)22(14-18)28-17-19(25)16-23-10-4-3-5-11-23/h6-7,14,19-20,25H,3-5,8-13,15-17H2,1-2H3/p+2/t19-/m1/s1