6-oxidanylidene-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridazin-3-olate

Systemtic Name: 6-oxidanylidene-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridazin-3-olate Openeye Name: 6-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridazin-3-olate CAS Name: 6-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-pyridazinolate IUPAC Name: 6-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridazin-3-olate Traditional Name: 6-keto-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridazin-3-olate Formula: C14H15N3O2 MolecularWeight: 257.2878

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C(=O)C=CC(=N3)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C(=O)C=CC(=N3)[O-]

InChI

InChI=1S/C14H15N3O2/c18-13-5-6-14(19)17(15-13)10-16-8-7-11-3-1-2-4-12(11)9-16/h1-6H,7-10H2,(H,15,18)