3-(2,4-dichlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-oxidanylidene-propanethioamide

Systemtic Name: 3-(2,4-dichlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-oxidanylidene-propanethioamide Openeye Name: 3-(2,4-dichlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-oxo-propanethioamide CAS Name: 3-(2,4-dichlorophenyl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-N-ethyl-3-oxopropanethioamide IUPAC Name: 3-(2,4-dichlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-oxopropanethioamide Traditional Name: 3-(2,4-dichlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-keto-thiopropionamide Formula: C18H20Cl2N3OS+ MolecularWeight: 397.3419

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C(C(=O)C1=C(C=C(C=C1)Cl)Cl)[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCNC(=S)C(C(=O)C1=C(C=C(C=C1)Cl)Cl)[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H19Cl2N3OS/c1-4-21-18(25)16(23-9-7-13(8-10-23)22(2)3)17(24)14-6-5-12(19)11-15(14)20/h5-11,16H,4H2,1-3H3/p+1