1-[2-(2-fluoranylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[2-(2-fluoranylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(2-fluorophenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[2-(2-fluorophenoxy)ethyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(2-fluorophenoxy)ethyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[2-(2-fluorophenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C18H21FN3O5S+ MolecularWeight: 410.439843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20FN3O5S/c19-17-6-1-2-7-18(17)27-13-12-20-8-10-21(11-9-20)28(25,26)16-5-3-4-15(14-16)22(23)24/h1-7,14H,8-13H2/p+1