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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=C(C(=S)NCCN2CCOCC2)[N+]3=CC=CC=C3)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=C(/C(=S)NCCN2CCOCC2)\[N+]3=CC=CC=C3)/[O-])C

InChI

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