N-[(1R)-1-(4-methylphenyl)propyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-(4-methylphenyl)propyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-(p-tolyl)propyl]acetamide CAS Name: N-[(1R)-1-(4-methylphenyl)propyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)propyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-[(1R)-1-(p-tolyl)propyl]acetamide Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)C)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H20N2O2S/c1-3-15(14-9-7-13(2)8-10-14)18-16(20)12-22-17-6-4-5-11-19(17)21/h4-11,15H,3,12H2,1-2H3,(H,18,20)/t15-/m1/s1