1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-[(2-chloro-5-nitro-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-(2-chloro-5-nitro-benzyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C18H18ClF3N3O2+ MolecularWeight: 400.80263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H17ClF3N3O2/c19-17-5-4-16(25(26)27)10-13(17)12-23-6-8-24(9-7-23)15-3-1-2-14(11-15)18(20,21)22/h1-5,10-11H,6-9,12H2/p+1