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

Systemtic Name: 7-chloranyl-1-(2-methylpropyl)-2-oxidanyl-3-propyl-pyrimido[1,2-b]pyridazin-5-ium-4-one Openeye Name: 7-chloro-2-hydroxy-1-isobutyl-3-propyl-pyrimido[1,2-b]pyridazin-5-ium-4-one CAS Name: 7-chloro-2-hydroxy-1-(2-methylpropyl)-3-propyl-4-pyrimido[1,2-b]pyridazin-5-iumone IUPAC Name: 7-chloro-2-hydroxy-1-(2-methylpropyl)-3-propylpyrimido[1,2-b]pyridazin-5-ium-4-one Traditional Name: 7-chloro-2-hydroxy-1-isobutyl-3-propyl-pyrimido[1,2-b]pyridazin-5-ium-4-one Formula: C14H19ClN3O2+ MolecularWeight: 296.77256

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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/p+1