N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-1-ium-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-1-ium-2-ylsulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-1-ium-2-ylsulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-quinolin-1-iumylthio)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-1-ium-2-ylsulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinolin-1-ium-2-ylthio)acetamide Formula: C19H17N2O3S+ MolecularWeight: 353.41488

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=[NH+]C4=CC=CC=C4C=C3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=[NH+]C4=CC=CC=C4C=C3

InChI

InChI=1S/C19H16N2O3S/c22-18(20-14-6-7-16-17(11-14)24-10-9-23-16)12-25-19-8-5-13-3-1-2-4-15(13)21-19/h1-8,11H,9-10,12H2,(H,20,22)/p+1