N-tert-butyl-2-[4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(1-isobutyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[[4,5-dimethyl-1-(2-methylpropyl)-2-imidazolyl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(1-isobutyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H38N5O2S+ MolecularWeight: 424.62372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C)CC(C)C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C)CC(C)C)C

InChI

InChI=1S/C21H37N5O2S/c1-15(2)12-26-17(4)16(3)22-20(26)29-14-19(28)25-10-8-24(9-11-25)13-18(27)23-21(5,6)7/h15H,8-14H2,1-7H3,(H,23,27)/p+1