4,5-bis(chloranyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridazin-3-one

Systemtic Name: 4,5-bis(chloranyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridazin-3-one Openeye Name: 4,5-dichloro-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridazin-3-one CAS Name: 4,5-dichloro-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-pyridazinone IUPAC Name: 4,5-dichloro-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridazin-3-one Traditional Name: 4,5-dichloro-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridazin-3-one Formula: C14H14Cl2N3O+ MolecularWeight: 311.18646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13Cl2N3O/c15-12-7-17-19(14(20)13(12)16)9-18-6-5-10-3-1-2-4-11(10)8-18/h1-4,7H,5-6,8-9H2/p+1