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

Systemtic Name: N-tert-butyl-2-[4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[1-(m-tolyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[[1-(3-methylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[[1-(m-tolyl)imidazol-2-yl]thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H32N5O2S+ MolecularWeight: 430.58678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O2S/c1-17-6-5-7-18(14-17)27-9-8-23-21(27)30-16-20(29)26-12-10-25(11-13-26)15-19(28)24-22(2,3)4/h5-9,14H,10-13,15-16H2,1-4H3,(H,24,28)/p+1