2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-(3,4,5-trimethoxybenzyl)acetamide Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H20N2O5S/c1-22-13-8-12(9-14(23-2)17(13)24-3)10-18-15(20)11-25-16-6-4-5-7-19(16)21/h4-9H,10-11H2,1-3H3,(H,18,20)