6-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]methyl]sesamol Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4O)OCO5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4O)OCO5

InChI

InChI=1S/C21H24N2O4/c24-18-11-21-20(26-14-27-21)10-17(18)13-23-6-4-22(5-7-23)12-15-1-2-19-16(9-15)3-8-25-19/h1-2,9-11,24H,3-8,12-14H2/p+1