1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromo-4-fluoro-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromo-4-fluorophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromo-4-fluorophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-bromo-4-fluoro-benzyl)-4-piperonyl-piperazine-1,4-diium Formula: C19H22BrFN2O2+2 MolecularWeight: 409.292583

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC(=C(C=C4)F)Br

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC(=C(C=C4)F)Br

InChI

InChI=1S/C19H20BrFN2O2/c20-16-9-14(1-3-17(16)21)11-22-5-7-23(8-6-22)12-15-2-4-18-19(10-15)25-13-24-18/h1-4,9-10H,5-8,11-13H2/p+2