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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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