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

Systemtic Name: 6-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]methyl]sesamol Formula: C20H24FN2O4+ MolecularWeight: 375.413963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O4/c1-25-18-3-2-14(8-16(18)21)11-22-4-6-23(7-5-22)12-15-9-19-20(10-17(15)24)27-13-26-19/h2-3,8-10,24H,4-7,11-13H2,1H3/p+1