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

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(5-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(5-fluorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(5-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(5-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(5-fluorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C21H20ClFN3O2S+ MolecularWeight: 432.918803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC4=C(S3)C=CC(=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C21H19ClFN3O2S/c22-16-3-1-2-4-17(16)24-20(27)13-25-7-9-26(10-8-25)21(28)19-12-14-11-15(23)5-6-18(14)29-19/h1-6,11-12H,7-10,13H2,(H,24,27)/p+1