1-[2-(2-fluorophenyl)sulfanylethyl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[2-(2-fluorophenyl)sulfanylethyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[2-(2-fluorophenyl)sulfanylethyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[2-[(2-fluorophenyl)thio]ethyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[2-(2-fluorophenyl)sulfanylethyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-[2-[(2-fluorophenyl)thio]ethyl]-4-(4-nitrophenyl)piperazin-1-ium Formula: C18H21FN3O2S+ MolecularWeight: 362.441643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCSC2=CC=CC=C2F)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCSC2=CC=CC=C2F)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20FN3O2S/c19-17-3-1-2-4-18(17)25-14-13-20-9-11-21(12-10-20)15-5-7-16(8-6-15)22(23)24/h1-8H,9-14H2/p+1