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

Systemtic Name: N-(2-chlorophenyl)-2-[4-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[4-oxo-4-(2-thienyl)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-(1,4-dioxo-4-thiophen-2-ylbutyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[4-keto-4-(2-thienyl)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C20H23ClN3O3S+ MolecularWeight: 420.93292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C20H22ClN3O3S/c21-15-4-1-2-5-16(15)22-19(26)14-23-9-11-24(12-10-23)20(27)8-7-17(25)18-6-3-13-28-18/h1-6,13H,7-12,14H2,(H,22,26)/p+1