2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-phenylbutyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2S/c1-2-8-15(14-9-4-3-5-10-14)18-16(20)13-22-17-11-6-7-12-19(17)21/h3-7,9-12,15H,2,8,13H2,1H3,(H,18,20)/t15-/m1/s1