3-(4-tert-butylphenyl)-N-ethyl-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: 3-(4-tert-butylphenyl)-N-ethyl-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: 3-(4-tert-butylphenyl)-N-ethyl-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: 3-(4-tert-butylphenyl)-N-ethyl-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: 3-(4-tert-butylphenyl)-N-ethyl-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: 3-(4-tert-butylphenyl)-N-ethyl-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2OS/c1-5-21-19(24)17(22-13-7-6-8-14-22)18(23)15-9-11-16(12-10-15)20(2,3)4/h6-14,17H,5H2,1-4H3/p+1