6-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazine-1,4-diiumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]sesamol Formula: C21H28N2O5+2 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C21H26N2O5/c1-25-17-2-4-18(5-3-17)26-11-10-22-6-8-23(9-7-22)14-16-12-20-21(13-19(16)24)28-15-27-20/h2-5,12-13,24H,6-11,14-15H2,1H3/p+2