7-chloranyl-1-(2-methylpropyl)-4-oxidanylidene-3-(phenylmethyl)pyrimido[1,2-b]pyridazin-5-ium-2-olate

Systemtic Name: 7-chloranyl-1-(2-methylpropyl)-4-oxidanylidene-3-(phenylmethyl)pyrimido[1,2-b]pyridazin-5-ium-2-olate Openeye Name: 3-benzyl-7-chloro-1-isobutyl-4-oxo-pyrimido[1,2-b]pyridazin-5-ium-2-olate CAS Name: 7-chloro-1-(2-methylpropyl)-4-oxo-3-(phenylmethyl)-2-pyrimido[1,2-b]pyridazin-5-iumolate IUPAC Name: 3-benzyl-7-chloro-1-(2-methylpropyl)-4-oxopyrimido[1,2-b]pyridazin-5-ium-2-olate Traditional Name: 3-benzyl-7-chloro-1-isobutyl-4-keto-pyrimido[1,2-b]pyridazin-5-ium-2-olate Formula: C18H18ClN3O2 MolecularWeight: 343.80742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=[N+](C(=O)C(=C1[O-])CC3=CC=CC=C3)N=C(C=C2)Cl

Isomeric SMILES

CC(C)CN1C2=[N+](C(=O)C(=C1[O-])CC3=CC=CC=C3)N=C(C=C2)Cl

InChI

InChI=1S/C18H18ClN3O2/c1-12(2)11-21-16-9-8-15(19)20-22(16)18(24)14(17(21)23)10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3