6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(4-piperonylpiperazin-4-ium-1-yl)methyl]sesamol Formula: C20H23N2O5+ MolecularWeight: 371.40702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4O)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4O)OCO5

InChI

InChI=1S/C20H22N2O5/c23-16-9-20-19(26-13-27-20)8-15(16)11-22-5-3-21(4-6-22)10-14-1-2-17-18(7-14)25-12-24-17/h1-2,7-9,23H,3-6,10-13H2/p+1