2-[4-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C17H23ClN5O2S+ MolecularWeight: 396.91482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C17H22ClN5O2S/c1-21(2)15(24)10-22-5-7-23(8-6-22)16(25)11-26-17-19-13-4-3-12(18)9-14(13)20-17/h3-4,9H,5-8,10-11H2,1-2H3,(H,19,20)/p+1