N-[2,5-bis(chloranyl)phenyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2,5-bis(chloranyl)phenyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,5-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,5-dichlorophenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,5-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,5-dichlorophenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C17H18Cl2N3O2S+ MolecularWeight: 399.31472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17Cl2N3O2S/c18-12-3-4-13(19)14(10-12)20-16(23)11-21-5-7-22(8-6-21)17(24)15-2-1-9-25-15/h1-4,9-10H,5-8,11H2,(H,20,23)/p+1