2-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C17H26FN4OS+ MolecularWeight: 353.477943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=S)NCC[NH+](C)C)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=S)NCC[NH+](C)C)F

InChI

InChI=1S/C17H25FN4OS/c1-13(23)14-4-5-16(15(18)12-14)21-8-10-22(11-9-21)17(24)19-6-7-20(2)3/h4-5,12H,6-11H2,1-3H3,(H,19,24)/p+1