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

Systemtic Name: 2-[4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(4-fluorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(4-fluorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-phenyl-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)C(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

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

InChI

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