(2S)-N-(4-methylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: (2S)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(p-tolyl)propanamide CAS Name: (2S)-N-(4-methylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: (2S)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-(p-tolyl)propionamide Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H16N2O2S/c1-11-6-8-13(9-7-11)16-15(18)12(2)20-14-5-3-4-10-17(14)19/h3-10,12H,1-2H3,(H,16,18)/t12-/m0/s1