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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromo-4-fluoro-phenyl)methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromo-4-fluorophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromo-4-fluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-bromo-4-fluoro-benzyl)-4-piperonyl-piperazin-1-ium Formula: C19H21BrFN2O2+ MolecularWeight: 408.284643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C(C=C2)F)Br)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C(C=C2)F)Br)CC3=CC4=C(C=C3)OCO4

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+1