N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H16N2O4S/c1-11(12-5-6-13-14(8-12)22-10-21-13)17-15(19)9-23-16-4-2-3-7-18(16)20/h2-8,11H,9-10H2,1H3,(H,17,19)