(2S)-1-(4-phenylmethoxyphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(4-phenylmethoxyphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(4-benzyloxyphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(4-phenylmethoxyphenoxy)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-phenylmethoxyphenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(4-benzoxyphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C21H28NO3+ MolecularWeight: 342.45192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C21H27NO3/c23-19(15-22-13-5-2-6-14-22)17-25-21-11-9-20(10-12-21)24-16-18-7-3-1-4-8-18/h1,3-4,7-12,19,23H,2,5-6,13-17H2/p+1/t19-/m0/s1