(2R)-1-(1,3-benzodioxol-5-yloxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Openeye Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-(4-methyl-1-piperazine-1,4-diiumyl)-2-propanol IUPAC Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Traditional Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C15H24N2O4+2 MolecularWeight: 296.36206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(COC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C[C@H](COC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C15H22N2O4/c1-16-4-6-17(7-5-16)9-12(18)10-19-13-2-3-14-15(8-13)21-11-20-14/h2-3,8,12,18H,4-7,9-11H2,1H3/p+2/t12-/m1/s1