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

Systemtic Name: 1-[3-fluoranyl-4-[4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C20H22FN2O4+ MolecularWeight: 373.398083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4)F

InChI

InChI=1S/C20H21FN2O4/c1-13(24)14-2-3-17(16(21)8-14)23-6-4-22(5-7-23)11-15-9-19-20(10-18(15)25)27-12-26-19/h2-3,8-10,25H,4-7,11-12H2,1H3/p+1