3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-propanethioamide

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-propanethioamide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-propanethioamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxopropanethioamide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxopropanethioamide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-keto-2-(3-methylolpyridin-1-ium-1-yl)thiopropionamide Formula: C19H21N2O4S+ MolecularWeight: 373.44604

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-2-20-19(26)17(21-7-3-4-13(11-21)12-22)18(23)14-5-6-15-16(10-14)25-9-8-24-15/h3-7,10-11,17,22H,2,8-9,12H2,1H3/p+1