2-[4-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(4-fluoro-3-methyl-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(4-fluoro-3-methyl-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(4-fluoro-3-methyl-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C22H22F2N3O2S+ MolecularWeight: 430.490786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C22H21F2N3O2S/c1-14-20-17(24)6-3-7-18(20)30-21(14)22(29)27-10-8-26(9-11-27)13-19(28)25-16-5-2-4-15(23)12-16/h2-7,12H,8-11,13H2,1H3,(H,25,28)/p+1