2-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C15H16Cl2N3O2S+ MolecularWeight: 373.27744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N)C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N)C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C15H15Cl2N3O2S/c16-9-1-2-10-11(7-9)23-14(13(10)17)15(22)20-5-3-19(4-6-20)8-12(18)21/h1-2,7H,3-6,8H2,(H2,18,21)/p+1