N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H22N2O2S/c1-11-6-5-7-13(12(11)2)16-14(18)10-20-15-8-3-4-9-17(15)19/h3-4,8-9,11-13H,5-7,10H2,1-2H3,(H,16,18)/t11-,12-,13-/m1/s1