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

Systemtic Name: N-(3-ethoxypropyl)-3-(4-methoxyphenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-(3-ethoxypropyl)-3-(4-methoxyphenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: N-(3-ethoxypropyl)-3-(4-methoxyphenyl)-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: N-(3-ethoxypropyl)-3-(4-methoxyphenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-(3-ethoxypropyl)-3-keto-3-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S/c1-3-25-15-7-12-21-20(26)18(22-13-5-4-6-14-22)19(23)16-8-10-17(24-2)11-9-16/h4-6,8-11,13-14,18H,3,7,12,15H2,1-2H3/p+1