(2R)-N-(cyclohexylmethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1CCCCC1)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H22N2O2S/c1-12(20-14-9-5-6-10-17(14)19)15(18)16-11-13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,16,18)/t12-/m1/s1