4-tert-butyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]butan-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]butan-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[(1S)-3-methylsulfanyl-1-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]propyl]benzamide CAS Name: 4-tert-butyl-N-[(2S)-4-(methylthio)-1-oxo-1-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)amino]butan-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]butan-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[(1S)-3-(methylthio)-1-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]propyl]benzamide Formula: C25H42N3O2S+ MolecularWeight: 448.68488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)[C@H](CCSC)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C25H41N3O2S/c1-23(2,3)18-11-9-17(10-12-18)21(29)27-20(13-14-31-8)22(30)26-19-15-24(4,5)28-25(6,7)16-19/h9-12,19-20,28H,13-16H2,1-8H3,(H,26,30)(H,27,29)/p+1/t20-/m0/s1