N-tert-butyl-2-[4-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C23H34N5O2S+ MolecularWeight: 444.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C)C

InChI

InChI=1S/C23H33N5O2S/c1-17-7-6-8-19(18(17)2)28-10-9-24-22(28)31-16-21(30)27-13-11-26(12-14-27)15-20(29)25-23(3,4)5/h6-10H,11-16H2,1-5H3,(H,25,29)/p+1