N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=CC=CC=[N+]3[O-]

InChI

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