(2S,3E)-1-(2-hydroxyethyl)-3-[1-(2-hydroxyethylamino)ethylidene]-5-oxidanyl-2-phenyl-2H-pyrrol-1-ium-4-one

Systemtic Name: (2S,3E)-1-(2-hydroxyethyl)-3-[1-(2-hydroxyethylamino)ethylidene]-5-oxidanyl-2-phenyl-2H-pyrrol-1-ium-4-one Openeye Name: (2S,3E)-5-hydroxy-1-(2-hydroxyethyl)-3-[1-(2-hydroxyethylamino)ethylidene]-2-phenyl-2H-pyrrol-1-ium-4-one CAS Name: (2S,3E)-5-hydroxy-1-(2-hydroxyethyl)-3-[1-(2-hydroxyethylamino)ethylidene]-2-phenyl-2H-pyrrol-1-ium-4-one IUPAC Name: (2S,3E)-5-hydroxy-1-(2-hydroxyethyl)-3-[1-(2-hydroxyethylamino)ethylidene]-2-phenyl-2H-pyrrol-1-ium-4-one Traditional Name: (4E,5S)-2-hydroxy-1-(2-hydroxyethyl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-phenyl-1-pyrrolin-1-ium-3-one Formula: C16H21N2O4+ MolecularWeight: 305.34894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C([N+](=C(C1=O)O)CCO)C2=CC=CC=C2)NCCO

Isomeric SMILES

C/C(=C\1/[C@@H]([N+](=C(C1=O)O)CCO)C2=CC=CC=C2)/NCCO

InChI

InChI=1S/C16H20N2O4/c1-11(17-7-9-19)13-14(12-5-3-2-4-6-12)18(8-10-20)16(22)15(13)21/h2-6,14,19-20H,7-10H2,1H3,(H,17,21)/p+1/t14-/m0/s1