(2S)-N-ethyl-3-(4-ethylphenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C(=S)NCC)[N+]2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@@H](C(=S)NCC)[N+]2=CC=CC=C2

InChI

InChI=1S/C18H20N2OS/c1-3-14-8-10-15(11-9-14)17(21)16(18(22)19-4-2)20-12-6-5-7-13-20/h5-13,16H,3-4H2,1-2H3/p+1/t16-/m0/s1