8-ethoxy-7-ethoxycarbonyl-1-(phenylmethyl)-8aH-imidazo[1,2-b]pyridazin-4-ium-8-olate

Systemtic Name: 8-ethoxy-7-ethoxycarbonyl-1-(phenylmethyl)-8aH-imidazo[1,2-b]pyridazin-4-ium-8-olate Openeye Name: 1-benzyl-8-ethoxy-7-ethoxycarbonyl-8aH-imidazo[1,2-b]pyridazin-4-ium-8-olate CAS Name: 8-ethoxy-7-ethoxycarbonyl-1-(phenylmethyl)-8aH-imidazo[1,2-b]pyridazin-4-ium-8-olate IUPAC Name: 1-benzyl-8-ethoxy-7-ethoxycarbonyl-8aH-imidazo[1,2-b]pyridazin-4-ium-8-olate Traditional Name: 1-benzyl-7-carbethoxy-8-ethoxy-8aH-imidazo[1,2-b]pyridazin-4-ium-8-olate Formula: C18H21N3O4 MolecularWeight: 343.37704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=[N+]2C=CN(C2C1([O-])OCC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=[N+]2C=CN(C2C1([O-])OCC)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O4/c1-3-24-16(22)15-12-19-21-11-10-20(13-14-8-6-5-7-9-14)17(21)18(15,23)25-4-2/h5-12,17H,3-4,13H2,1-2H3