3-fluoranyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzenecarbothioamide

Systemtic Name: 3-fluoranyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzenecarbothioamide Openeye Name: 3-fluoro-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzenecarbothioamide CAS Name: 3-fluoro-4-[(4-methyl-1-piperazin-4-iumyl)methyl]benzenecarbothioamide IUPAC Name: 3-fluoro-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzenecarbothioamide Traditional Name: 3-fluoro-4-[(4-methylpiperazin-4-ium-1-yl)methyl]thiobenzamide Formula: C13H19FN3S+ MolecularWeight: 268.373463

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C=C(C=C2)C(=S)N)F

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C=C(C=C2)C(=S)N)F

InChI

InChI=1S/C13H18FN3S/c1-16-4-6-17(7-5-16)9-11-3-2-10(13(15)18)8-12(11)14/h2-3,8H,4-7,9H2,1H3,(H2,15,18)/p+1