2-[4-[(5-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[(5-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(5-fluorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(5-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(5-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(5-fluorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C21H20F2N3O2S+ MolecularWeight: 416.464206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC4=C(S3)C=CC(=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C21H19F2N3O2S/c22-15-2-1-3-17(12-15)24-20(27)13-25-6-8-26(9-7-25)21(28)19-11-14-10-16(23)4-5-18(14)29-19/h1-5,10-12H,6-9,13H2,(H,24,27)/p+1