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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-homoveratryl-N-methyl-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C18H22N2O4S/c1-19(17(21)13-25-18-6-4-5-10-20(18)22)11-9-14-7-8-15(23-2)16(12-14)24-3/h4-8,10,12H,9,11,13H2,1-3H3