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

Systemtic Name: 7-chloranyl-1-(2-methylpropyl)-4-oxidanylidene-3-propyl-pyrimido[1,2-b]pyridazin-5-ium-2-olate Openeye Name: 7-chloro-1-isobutyl-4-oxo-3-propyl-pyrimido[1,2-b]pyridazin-5-ium-2-olate CAS Name: 7-chloro-1-(2-methylpropyl)-4-oxo-3-propyl-2-pyrimido[1,2-b]pyridazin-5-iumolate IUPAC Name: 7-chloro-1-(2-methylpropyl)-4-oxo-3-propylpyrimido[1,2-b]pyridazin-5-ium-2-olate Traditional Name: 7-chloro-1-isobutyl-4-keto-3-propyl-pyrimido[1,2-b]pyridazin-5-ium-2-olate Formula: C14H18ClN3O2 MolecularWeight: 295.76462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=[N+](C1=O)N=C(C=C2)Cl)CC(C)C)[O-]

Isomeric SMILES

CCCC1=C(N(C2=[N+](C1=O)N=C(C=C2)Cl)CC(C)C)[O-]

InChI

InChI=1S/C14H18ClN3O2/c1-4-5-10-13(19)17(8-9(2)3)12-7-6-11(15)16-18(12)14(10)20/h6-7,9H,4-5,8H2,1-3H3