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

Systemtic Name: (2R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)propanethioamide Openeye Name: (2R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanethioamide CAS Name: (2R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxo-2-(4-propyl-1-pyridin-1-iumyl)propanethioamide IUPAC Name: (2R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanethioamide Traditional Name: (2R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-keto-2-(4-propylpyridin-1-ium-1-yl)thiopropionamide Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)C(C(=O)C2=CC3=C(C=C2)OCCO3)C(=S)NCC

Isomeric SMILES

CCCC1=CC=[N+](C=C1)[C@H](C(=O)C2=CC3=C(C=C2)OCCO3)C(=S)NCC

InChI

InChI=1S/C21H24N2O3S/c1-3-5-15-8-10-23(11-9-15)19(21(27)22-4-2)20(24)16-6-7-17-18(14-16)26-13-12-25-17/h6-11,14,19H,3-5,12-13H2,1-2H3/p+1/t19-/m1/s1