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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C18H19N2O3S+ MolecularWeight: 343.42006

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-2-19-18(24)16(20-8-4-3-5-9-20)17(21)13-6-7-14-15(12-13)23-11-10-22-14/h3-9,12,16H,2,10-11H2,1H3/p+1