N-(4-fluorophenyl)-2-[4-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[2-[(1-methyl-5-phenyl-2-imidazolyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C24H27FN5O2S+ MolecularWeight: 468.566883

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CN1C(=CN=C1SCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C24H26FN5O2S/c1-28-21(18-5-3-2-4-6-18)15-26-24(28)33-17-23(32)30-13-11-29(12-14-30)16-22(31)27-20-9-7-19(25)8-10-20/h2-10,15H,11-14,16-17H2,1H3,(H,27,31)/p+1