4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Openeye Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide CAS Name: 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Traditional Name: 4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Formula: C22H32N5O2S+ MolecularWeight: 430.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C)C

InChI

InChI=1S/C22H31N5O2S/c1-21(2)12-17(13-22(3,4)26-21)25-19(29)15-6-8-16(9-7-15)24-18(28)14-30-20-23-10-11-27(20)5/h6-11,17,26H,12-14H2,1-5H3,(H,24,28)(H,25,29)/p+1