1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-4-piperonyl-piperazine-1,4-diium Formula: C19H22ClFN2O2+2 MolecularWeight: 364.841583

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C19H20ClFN2O2/c20-16-2-1-3-17(21)15(16)12-23-8-6-22(7-9-23)11-14-4-5-18-19(10-14)25-13-24-18/h1-5,10H,6-9,11-13H2/p+2