(E)-3-(2-morpholin-4-ylethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate

Systemtic Name: (E)-3-(2-morpholin-4-ylethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: (E)-3-(2-morpholinoethylamino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-[2-(4-morpholinyl)ethylamino]-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: (E)-3-(2-morpholin-4-ylethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: (E)-3-(2-morpholinoethylamino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

C1COCCN1CCNC(=S)/C(=C(/C2=CC=CS2)\[O-])/[N+]3=CC=CC=C3

InChI

InChI=1S/C18H21N3O2S2/c22-17(15-5-4-14-25-15)16(21-7-2-1-3-8-21)18(24)19-6-9-20-10-12-23-13-11-20/h1-5,7-8,14H,6,9-13H2,(H-,19,22,24)