N-(3-fluoranyl-4-methyl-phenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H21FN3O2S+ MolecularWeight: 362.441643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)F

InChI

InChI=1S/C18H20FN3O2S/c1-13-4-5-14(11-15(13)19)20-17(23)12-21-6-8-22(9-7-21)18(24)16-3-2-10-25-16/h2-5,10-11H,6-9,12H2,1H3,(H,20,23)/p+1