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

Systemtic Name: N-tert-butyl-2-[4-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(4-methylquinolin-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(4-methyl-2-quinolyl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C22H30N4O2S/c1-16-13-20(23-18-8-6-5-7-17(16)18)29-15-21(28)26-11-9-25(10-12-26)14-19(27)24-22(2,3)4/h5-8,13H,9-12,14-15H2,1-4H3,(H,24,27)/p+1