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

Systemtic Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C19H19F3N3O4+ MolecularWeight: 410.36707

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F3N3O4/c20-19(21,22)14-2-1-3-15(9-14)24-6-4-23(5-7-24)11-13-8-17-18(29-12-28-17)10-16(13)25(26)27/h1-3,8-10H,4-7,11-12H2/p+1