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

Systemtic Name: N-(3-fluorophenyl)-2-[4-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[4-oxo-4-(2-thienyl)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(1,4-dioxo-4-thiophen-2-ylbutyl)-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[4-keto-4-(2-thienyl)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C20H23FN3O3S+ MolecularWeight: 404.478323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C20H22FN3O3S/c21-15-3-1-4-16(13-15)22-19(26)14-23-8-10-24(11-9-23)20(27)7-6-17(25)18-5-2-12-28-18/h1-5,12-13H,6-11,14H2,(H,22,26)/p+1