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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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