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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

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