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

Systemtic Name: 6-[[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]methyl]sesamol Formula: C19H22FN2O3+ MolecularWeight: 345.387983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C19H21FN2O3/c20-16-4-2-1-3-14(16)11-21-5-7-22(8-6-21)12-15-9-18-19(10-17(15)23)25-13-24-18/h1-4,9-10,23H,5-8,11-13H2/p+1