3-(3,4-dimethylphenyl)-N-ethyl-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: 3-(3,4-dimethylphenyl)-N-ethyl-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: 3-(3,4-dimethylphenyl)-N-ethyl-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: 3-(3,4-dimethylphenyl)-N-ethyl-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: 3-(3,4-dimethylphenyl)-N-ethyl-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: 3-(3,4-dimethylphenyl)-N-ethyl-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C18H21N2OS+ MolecularWeight: 313.43714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2OS/c1-4-19-18(22)16(20-10-6-5-7-11-20)17(21)15-9-8-13(2)14(3)12-15/h5-12,16H,4H2,1-3H3/p+1