(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate

Systemtic Name: (E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: (E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: (E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: (E)-3-(piperonylamino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C20H16N2O3S2 MolecularWeight: 396.48264

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)C(=C(C3=CC=CS3)[O-])[N+]4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)/C(=C(/C3=CC=CS3)\[O-])/[N+]4=CC=CC=C4

InChI

InChI=1S/C20H16N2O3S2/c23-19(17-5-4-10-27-17)18(22-8-2-1-3-9-22)20(26)21-12-14-6-7-15-16(11-14)25-13-24-15/h1-11H,12-13H2,(H-,21,23,26)