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

Systemtic Name: 3-(4-tert-butylphenyl)-N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-propanethioamide Openeye Name: 3-(4-tert-butylphenyl)-N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-propanethioamide CAS Name: 3-(4-tert-butylphenyl)-N-ethyl-2-(3-methyl-1-pyridin-1-iumyl)-3-oxopropanethioamide IUPAC Name: 3-(4-tert-butylphenyl)-N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxopropanethioamide Traditional Name: 3-(4-tert-butylphenyl)-N-ethyl-3-keto-2-(3-methylpyridin-1-ium-1-yl)thiopropionamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2OS/c1-6-22-20(25)18(23-13-7-8-15(2)14-23)19(24)16-9-11-17(12-10-16)21(3,4)5/h7-14,18H,6H2,1-5H3/p+1