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

Systemtic Name: N-ethyl-3-(4-methoxyphenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-ethyl-3-(4-methoxyphenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: N-ethyl-3-(4-methoxyphenyl)-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: N-ethyl-3-(4-methoxyphenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-ethyl-3-keto-3-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C17H19N2O2S+ MolecularWeight: 315.40996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S/c1-3-18-17(22)15(19-11-5-4-6-12-19)16(20)13-7-9-14(21-2)10-8-13/h4-12,15H,3H2,1-2H3/p+1