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

Systemtic Name: N-butyl-3-(4-methoxyphenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: N-butyl-3-(4-methoxyphenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: N-butyl-3-(4-methoxyphenyl)-3-oxo-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: N-butyl-3-(4-methoxyphenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: N-butyl-3-keto-3-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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