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

Systemtic Name: (E)-1-(4-ethylphenyl)-3-(2-morpholin-4-ylethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(4-ethylphenyl)-3-(2-morpholinoethylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(4-ethylphenyl)-3-[2-(4-morpholinyl)ethylamino]-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(4-ethylphenyl)-3-(2-morpholin-4-ylethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(4-ethylphenyl)-3-(2-morpholinoethylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=C(C(=S)NCCN2CCOCC2)[N+]3=CC=CC=C3)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)/C(=C(/C(=S)NCCN2CCOCC2)\[N+]3=CC=CC=C3)/[O-]

InChI

InChI=1S/C22H27N3O2S/c1-2-18-6-8-19(9-7-18)21(26)20(25-11-4-3-5-12-25)22(28)23-10-13-24-14-16-27-17-15-24/h3-9,11-12H,2,10,13-17H2,1H3,(H-,23,26,28)