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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=CC=CC=[N+]2[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=CC=CC=[N+]2[O-])OCC

InChI

InChI=1S/C19H24N2O4S/c1-3-24-16-9-8-15(13-17(16)25-4-2)10-11-20-18(22)14-26-19-7-5-6-12-21(19)23/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,20,22)