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

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-(3-nitrophenyl)-3-oxidanylidene-propanethioamide Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-(3-nitrophenyl)-3-oxo-propanethioamide CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-N-ethyl-3-(3-nitrophenyl)-3-oxopropanethioamide IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-(3-nitrophenyl)-3-oxopropanethioamide Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-keto-3-(3-nitrophenyl)thiopropionamide Formula: C18H21N4O3S+ MolecularWeight: 373.44934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3S/c1-4-19-18(26)16(21-10-8-14(9-11-21)20(2)3)17(23)13-6-5-7-15(12-13)22(24)25/h5-12,16H,4H2,1-3H3/p+1