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

Systemtic Name: 2-[4-[(4-chloranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(4-chlorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(4-chloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(4-chloro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(4-chlorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-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(=CC=C2)F)C(=O)C3=CC4=C(S3)C=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC4=C(S3)C=CC=C4Cl

InChI

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