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

Systemtic Name: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-(4-fluorophenyl)piperazin-1-ium Openeye Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(4-fluorophenyl)piperazin-1-ium CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(4-fluorophenyl)piperazin-1-ium IUPAC Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(4-fluorophenyl)piperazin-1-ium Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(4-fluorophenyl)piperazin-1-ium Formula: C18H19BrFN2O2+ MolecularWeight: 394.258063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2Br)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2Br)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H18BrFN2O2/c19-16-10-18-17(23-12-24-18)9-13(16)11-21-5-7-22(8-6-21)15-3-1-14(20)2-4-15/h1-4,9-10H,5-8,11-12H2/p+1