methyl 2-[5-chloranyl-4-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: methyl 2-[5-chloranyl-4-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[5-chloro-4-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[5-chloro-4-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[5-chloro-4-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-6-keto-pyridazin-1-yl]acetic acid methyl ester Formula: C16H17ClN3O3+ MolecularWeight: 334.77748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C(C(=[N+]2CCC3=CC=CC=C3C2)C=N1)Cl

Isomeric SMILES

COC(=O)CN1C(=O)C(C(=[N+]2CCC3=CC=CC=C3C2)C=N1)Cl

InChI

InChI=1S/C16H17ClN3O3/c1-23-14(21)10-20-16(22)15(17)13(8-18-20)19-7-6-11-4-2-3-5-12(11)9-19/h2-5,8,15H,6-7,9-10H2,1H3/q+1