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

Systemtic Name: (2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Openeye Name: (2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: (2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-methyl-1-piperazine-1,4-diiumyl)-2-propanol IUPAC Name: (2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Traditional Name: (2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-3-piperonyloxy-propan-2-ol Formula: C16H26N2O4+2 MolecularWeight: 310.38864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(COCC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C[C@H](COCC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C16H24N2O4/c1-17-4-6-18(7-5-17)9-14(19)11-20-10-13-2-3-15-16(8-13)22-12-21-15/h2-3,8,14,19H,4-7,9-12H2,1H3/p+2/t14-/m1/s1