3-[[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[4-(4-fluorophenyl)thiazol-2-yl]piperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[4-(4-fluorophenyl)-2-thiazolyl]-1-piperazinyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-[4-(4-fluorophenyl)thiazol-2-yl]piperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C19H27FN5S2+ MolecularWeight: 408.579583

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H26FN5S2/c1-23(2)9-3-8-21-18(26)24-10-12-25(13-11-24)19-22-17(14-27-19)15-4-6-16(20)7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H,21,26)/p+1