(2S)-1-(1,3-benzodioxol-5-yloxy)-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C15H22NO4+ MolecularWeight: 280.33948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C15H21NO4/c17-12(9-16-6-2-1-3-7-16)10-18-13-4-5-14-15(8-13)20-11-19-14/h4-5,8,12,17H,1-3,6-7,9-11H2/p+1/t12-/m0/s1