(2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]propane-1,2-diol

Systemtic Name: (2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]propane-1,2-diol Openeye Name: (2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]propane-1,2-diol CAS Name: (2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]propane-1,2-diol IUPAC Name: (2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]propane-1,2-diol Traditional Name: (2R)-3-(4-piperonylpiperazine-1,4-diium-1-yl)propane-1,2-diol Formula: C15H24N2O4+2 MolecularWeight: 296.36206

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(CO)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)C[C@H](CO)O

InChI

InChI=1S/C15H22N2O4/c18-10-13(19)9-17-5-3-16(4-6-17)8-12-1-2-14-15(7-12)21-11-20-14/h1-2,7,13,18-19H,3-6,8-11H2/p+2/t13-/m1/s1