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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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