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

Systemtic Name: 1-(4-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-(4-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(4-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-(4-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium Formula: C18H19FN3O4+ MolecularWeight: 360.359563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H18FN3O4/c19-14-1-3-15(4-2-14)21-7-5-20(6-8-21)11-13-9-17-18(26-12-25-17)10-16(13)22(23)24/h1-4,9-10H,5-8,11-12H2/p+1