N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H24FN4O2S+ MolecularWeight: 403.493563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SCC(=O)N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SCC(=O)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN4O2S/c21-15-5-7-16(8-6-15)25-11-9-24(10-12-25)13-20(27)23-17-3-1-2-4-18(17)28-14-19(22)26/h1-8H,9-14H2,(H2,22,26)(H,23,27)/p+1