ethyl 8-ethoxy-8-oxidanyl-1-(phenylmethyl)-8aH-imidazo[1,2-b]pyridazin-4-ium-7-carboxylate

Systemtic Name: ethyl 8-ethoxy-8-oxidanyl-1-(phenylmethyl)-8aH-imidazo[1,2-b]pyridazin-4-ium-7-carboxylate Openeye Name: ethyl 1-benzyl-8-ethoxy-8-hydroxy-8aH-imidazo[1,2-b]pyridazin-4-ium-7-carboxylate CAS Name: 8-ethoxy-8-hydroxy-1-(phenylmethyl)-8aH-imidazo[1,2-b]pyridazin-4-ium-7-carboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-8-ethoxy-8-hydroxy-8aH-imidazo[1,2-b]pyridazin-4-ium-7-carboxylate Traditional Name: 1-benzyl-8-ethoxy-8-hydroxy-8aH-imidazo[1,2-b]pyridazin-4-ium-7-carboxylic acid ethyl ester Formula: C18H22N3O4+ MolecularWeight: 344.38498

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/C18H22N3O4/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/h5-12,17,23H,3-4,13H2,1-2H3/q+1