N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C21H27N3O5S MolecularWeight: 433.52118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H27N3O5S/c1-3-28-18-14-17(23-9-11-27-12-10-23)19(29-4-2)13-16(18)22-20(25)15-30-21-7-5-6-8-24(21)26/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,22,25)