N-tert-butyl-2-[4-[2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[[1-(3-chloro-2-methylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H31ClN5O2S+ MolecularWeight: 465.03184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C22H30ClN5O2S/c1-16-17(23)6-5-7-18(16)28-9-8-24-21(28)31-15-20(30)27-12-10-26(11-13-27)14-19(29)25-22(2,3)4/h5-9H,10-15H2,1-4H3,(H,25,29)/p+1