N-tert-butyl-2-[4-[2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(5-chloro-1-propyl-benzimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[(5-chloro-1-propyl-2-benzimidazolyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(5-chloro-1-propyl-benzimidazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H33ClN5O2S+ MolecularWeight: 467.04772

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C22H32ClN5O2S/c1-5-8-28-18-7-6-16(23)13-17(18)24-21(28)31-15-20(30)27-11-9-26(10-12-27)14-19(29)25-22(2,3)4/h6-7,13H,5,8-12,14-15H2,1-4H3,(H,25,29)/p+1