3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-propanethioamide

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-propanethioamide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-propanethioamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(3-methyl-1-pyridin-1-iumyl)-3-oxopropanethioamide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxopropanethioamide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-keto-2-(3-methylpyridin-1-ium-1-yl)thiopropionamide Formula: C19H21N2O3S+ MolecularWeight: 357.44664

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C(C(=O)C1=CC2=C(C=C1)OCCO2)[N+]3=CC=CC(=C3)C

Isomeric SMILES

CCNC(=S)C(C(=O)C1=CC2=C(C=C1)OCCO2)[N+]3=CC=CC(=C3)C

InChI

InChI=1S/C19H20N2O3S/c1-3-20-19(25)17(21-8-4-5-13(2)12-21)18(22)14-6-7-15-16(11-14)24-10-9-23-15/h4-8,11-12,17H,3,9-10H2,1-2H3/p+1