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

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]dibenzofuran-2-ol Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]dibenzofuran-2-ol CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-2-dibenzofuranol IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]dibenzofuran-2-ol Traditional Name: 3-[(4-piperonylpiperazin-1-ium-1-yl)methyl]dibenzofuran-2-ol Formula: C25H25N2O4+ MolecularWeight: 417.477

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C3C4=CC=CC=C4OC3=C2)O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C3C4=CC=CC=C4OC3=C2)O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H24N2O4/c28-21-13-20-19-3-1-2-4-22(19)31-24(20)12-18(21)15-27-9-7-26(8-10-27)14-17-5-6-23-25(11-17)30-16-29-23/h1-6,11-13,28H,7-10,14-16H2/p+1