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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-allyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-N-prop-2-enyl-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-N-prop-2-enyl-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-allyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C19H19N2O3S+ MolecularWeight: 355.43076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S/c1-2-8-20-19(25)17(21-9-4-3-5-10-21)18(22)14-6-7-15-16(13-14)24-12-11-23-15/h2-7,9-10,13,17H,1,8,11-12H2/p+1