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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-veratryl-acetamide Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC=CC=[N+]2[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC=CC=[N+]2[O-])OC

InChI

InChI=1S/C16H18N2O4S/c1-21-13-7-6-12(9-14(13)22-2)10-17-15(19)11-23-16-5-3-4-8-18(16)20/h3-9H,10-11H2,1-2H3,(H,17,19)