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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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