2-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[2-[(1-ethylbenzimidazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C23H27FN5O2S+ MolecularWeight: 456.556183

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN5O2S/c1-2-29-20-6-4-3-5-19(20)26-23(29)32-16-22(31)28-13-11-27(12-14-28)15-21(30)25-18-9-7-17(24)8-10-18/h3-10H,2,11-16H2,1H3,(H,25,30)/p+1