N-[3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-methoxyphenyl)sulfanyl-ethanamide

Systemtic Name: N-[3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-methoxyphenyl)sulfanyl-ethanamide Openeye Name: N-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-methoxyphenyl)sulfanyl-acetamide CAS Name: N-[3-fluoro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-[(4-methoxyphenyl)thio]acetamide IUPAC Name: N-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-methoxyphenyl)sulfanylacetamide Traditional Name: N-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-[(4-methoxyphenyl)thio]acetamide Formula: C20H25FN3O2S+ MolecularWeight: 390.494803

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)OC)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)OC)F

InChI

InChI=1S/C20H24FN3O2S/c1-23-9-11-24(12-10-23)19-8-3-15(13-18(19)21)22-20(25)14-27-17-6-4-16(26-2)5-7-17/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1