N-(3-fluorophenyl)-2-[4-(2-thiophen-3-ylethanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-(2-thiophen-3-ylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[2-(3-thienyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[1-oxo-2-(3-thiophenyl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(2-thiophen-3-ylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[2-(3-thienyl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C18H21FN3O2S+ MolecularWeight: 362.441643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)CC3=CSC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)CC3=CSC=C3

InChI

InChI=1S/C18H20FN3O2S/c19-15-2-1-3-16(11-15)20-17(23)12-21-5-7-22(8-6-21)18(24)10-14-4-9-25-13-14/h1-4,9,11,13H,5-8,10,12H2,(H,20,23)/p+1