N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H22N2O4S/c1-13(2)19(14-6-7-15-16(11-14)25-10-9-24-15)20-17(22)12-26-18-5-3-4-8-21(18)23/h3-8,11,13,19H,9-10,12H2,1-2H3,(H,20,22)