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

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium Openeye Name: 1-[(2-chloro-5-nitro-phenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium IUPAC Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium Traditional Name: 1-(2-chloro-5-nitro-benzyl)-4-(2-fluorophenyl)piperazin-1-ium Formula: C17H18ClFN3O2+ MolecularWeight: 350.795123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3F

InChI

InChI=1S/C17H17ClFN3O2/c18-15-6-5-14(22(23)24)11-13(15)12-20-7-9-21(10-8-20)17-4-2-1-3-16(17)19/h1-6,11H,7-10,12H2/p+1