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

Systemtic Name: N-(4-fluorophenyl)-2-[4-[2-(1-methylimidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[2-[(1-methylimidazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C18H23FN5O2S+ MolecularWeight: 392.470923

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN5O2S/c1-22-7-6-20-18(22)27-13-17(26)24-10-8-23(9-11-24)12-16(25)21-15-4-2-14(19)3-5-15/h2-7H,8-13H2,1H3,(H,21,25)/p+1