ethyl 2-[5-chloranyl-4-(3,4-dihydroisoquinolin-2-ium-2-yl)-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[5-chloranyl-4-(3,4-dihydroisoquinolin-2-ium-2-yl)-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: ethyl 2-[5-chloro-4-(3,4-dihydroisoquinolin-2-ium-2-yl)-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[5-chloro-4-(3,4-dihydroisoquinolin-2-ium-2-yl)-6-oxo-1-pyridazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-chloro-4-(3,4-dihydroisoquinolin-2-ium-2-yl)-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[5-chloro-4-(3,4-dihydroisoquinolin-2-ium-2-yl)-6-keto-pyridazin-1-yl]acetic acid ethyl ester Formula: C17H17ClN3O3+ MolecularWeight: 346.78818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C(=C(C=N1)[N+]2=CC3=CC=CC=C3CC2)Cl

Isomeric SMILES

CCOC(=O)CN1C(=O)C(=C(C=N1)[N+]2=CC3=CC=CC=C3CC2)Cl

InChI

InChI=1S/C17H17ClN3O3/c1-2-24-15(22)11-21-17(23)16(18)14(9-19-21)20-8-7-12-5-3-4-6-13(12)10-20/h3-6,9-10H,2,7-8,11H2,1H3/q+1