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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-oxidanylidene-propanimidothioate Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-oxo-propanimidothioate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-N-ethyl-3-oxopropanimidothioate IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-oxopropanimidothioate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-keto-thiopropionimidate Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-4-21-20(27)18(23-9-7-15(8-10-23)22(2)3)19(24)14-5-6-16-17(13-14)26-12-11-25-16/h5-10,13,18H,4,11-12H2,1-3H3