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

Systemtic Name: 2-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(3-chlorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(3-chlorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C21H20ClFN3O2S+ MolecularWeight: 432.918803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

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