(2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: (2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H22N2O2S/c1-11-7-3-4-8-13(11)16-15(18)12(2)20-14-9-5-6-10-17(14)19/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,16,18)/t11-,12+,13-/m0/s1