2-[[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[2-(4-fluoroanilino)-2-oxo-ethyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-[2-(4-fluoroanilino)-2-keto-ethyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C17H28FN5OS+2 MolecularWeight: 369.500523

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

C[NH+](C)CCNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H26FN5OS/c1-21(2)8-7-19-17(25)23-11-9-22(10-12-23)13-16(24)20-15-5-3-14(18)4-6-15/h3-6H,7-13H2,1-2H3,(H,19,25)(H,20,24)/p+2