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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxidanylidene-2-(3-phenylpyridin-1-ium-1-yl)propanethioamide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxo-2-(3-phenylpyridin-1-ium-1-yl)propanethioamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxo-2-(3-phenyl-1-pyridin-1-iumyl)propanethioamide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxo-2-(3-phenylpyridin-1-ium-1-yl)propanethioamide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-keto-2-(3-phenylpyridin-1-ium-1-yl)thiopropionamide Formula: C24H23N2O3S+ MolecularWeight: 419.51602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C(C(=O)C1=CC2=C(C=C1)OCCO2)[N+]3=CC=CC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCNC(=S)C(C(=O)C1=CC2=C(C=C1)OCCO2)[N+]3=CC=CC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H22N2O3S/c1-2-25-24(30)22(23(27)18-10-11-20-21(15-18)29-14-13-28-20)26-12-6-9-19(16-26)17-7-4-3-5-8-17/h3-12,15-16,22H,2,13-14H2,1H3/p+1