(2R)-1-(1,3-benzodioxol-5-yloxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C20H25N2O4+ MolecularWeight: 357.4235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC3=C(C=C2)OCO3)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](COC2=CC3=C(C=C2)OCO3)O)C4=CC=CC=C4

InChI

InChI=1S/C20H24N2O4/c23-17(14-24-18-6-7-19-20(12-18)26-15-25-19)13-21-8-10-22(11-9-21)16-4-2-1-3-5-16/h1-7,12,17,23H,8-11,13-15H2/p+1/t17-/m1/s1