ethyl 3-(2-hydroxyethyloxy)-6-morpholin-4-yl-4-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate

Systemtic Name: ethyl 3-(2-hydroxyethyloxy)-6-morpholin-4-yl-4-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: ethyl 3-(2-hydroxyethoxy)-6-morpholino-4-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3-(2-hydroxyethoxy)-6-(4-morpholinyl)-4-phenyl-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-hydroxyethoxy)-6-morpholin-4-yl-4-phenylthieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3-(2-hydroxyethoxy)-6-morpholino-4-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxylic acid ethyl ester Formula: C22H25N2O5S+ MolecularWeight: 429.5093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)[NH+]=C(C=C2C3=CC=CC=C3)N4CCOCC4)OCCO

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)[NH+]=C(C=C2C3=CC=CC=C3)N4CCOCC4)OCCO

InChI

InChI=1S/C22H24N2O5S/c1-2-28-22(26)20-19(29-13-10-25)18-16(15-6-4-3-5-7-15)14-17(23-21(18)30-20)24-8-11-27-12-9-24/h3-7,14,25H,2,8-13H2,1H3/p+1