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

Systemtic Name: N-butyl-3-(4-methoxyphenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-butyl-3-(4-methoxyphenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: N-butyl-3-(4-methoxyphenyl)-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: N-butyl-3-(4-methoxyphenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-butyl-3-keto-3-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C19H23N2O2S+ MolecularWeight: 343.46312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2S/c1-3-4-12-20-19(24)17(21-13-6-5-7-14-21)18(22)15-8-10-16(23-2)11-9-15/h5-11,13-14,17H,3-4,12H2,1-2H3/p+1