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

Systemtic Name: 2-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[1-benzothiophen-2-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C21H21FN3O2S+ MolecularWeight: 398.473743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H20FN3O2S/c22-16-5-3-6-17(13-16)23-20(26)14-24-8-10-25(11-9-24)21(27)19-12-15-4-1-2-7-18(15)28-19/h1-7,12-13H,8-11,14H2,(H,23,26)/p+1