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

Systemtic Name: 1-[(4-chloranyl-3-nitro-phenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium Openeye Name: 1-[(4-chloro-3-nitro-phenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium CAS Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium IUPAC Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium Traditional Name: 1-(4-chloro-3-nitro-benzyl)-4-(2-fluorophenyl)piperazin-1-ium Formula: C17H18ClFN3O2+ MolecularWeight: 350.795123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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