(E)-3-(butylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-(butylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(butylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(butylamino)-1-(4-methoxyphenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(butylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(butylamino)-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCNC(=S)/C(=C(/C1=CC=C(C=C1)OC)\[O-])/[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/h5-11,13-14H,3-4,12H2,1-2H3,(H-,20,22,24)