N-tert-butyl-2-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(1-ethylbenzimidazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H32N5O2S+ MolecularWeight: 418.57608

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C21H31N5O2S/c1-5-26-17-9-7-6-8-16(17)22-20(26)29-15-19(28)25-12-10-24(11-13-25)14-18(27)23-21(2,3)4/h6-9H,5,10-15H2,1-4H3,(H,23,27)/p+1