1-[(4-chlorophenyl)methyl]-4-(4-fluoranyl-3-nitro-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(4-fluoranyl-3-nitro-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(4-chlorophenyl)methyl]-4-(4-fluoro-3-nitro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(4-chlorophenyl)methyl]-4-(4-fluoro-3-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(4-fluoro-3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-chlorobenzyl)-4-(4-fluoro-3-nitro-phenyl)sulfonyl-piperazin-1-ium Formula: C17H18ClFN3O4S+ MolecularWeight: 414.858923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClFN3O4S/c18-14-3-1-13(2-4-14)12-20-7-9-21(10-8-20)27(25,26)15-5-6-16(19)17(11-15)22(23)24/h1-6,11H,7-10,12H2/p+1