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

Systemtic Name: N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[4-(2-thienyl)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-(1-oxo-4-thiophen-2-ylbutyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[4-(2-thienyl)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C20H25FN3O2S+ MolecularWeight: 390.494803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)CCCC3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)CCCC3=CC=CS3

InChI

InChI=1S/C20H24FN3O2S/c21-16-4-1-5-17(14-16)22-19(25)15-23-9-11-24(12-10-23)20(26)8-2-6-18-7-3-13-27-18/h1,3-5,7,13-14H,2,6,8-12,15H2,(H,22,25)/p+1