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

Systemtic Name: N-tert-butyl-2-[4-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[1-(4-isopropylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-2-[[1-(4-propan-2-ylphenyl)-2-imidazolyl]thio]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(1-p-cumenylimidazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C24H36N5O2S+ MolecularWeight: 458.63994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C24H35N5O2S/c1-18(2)19-6-8-20(9-7-19)29-11-10-25-23(29)32-17-22(31)28-14-12-27(13-15-28)16-21(30)26-24(3,4)5/h6-11,18H,12-17H2,1-5H3,(H,26,30)/p+1