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

Systemtic Name: 3-butyl-7-chloranyl-1-(2-methylpropyl)-2-oxidanyl-pyrimido[1,2-b]pyridazin-5-ium-4-one Openeye Name: 3-butyl-7-chloro-2-hydroxy-1-isobutyl-pyrimido[1,2-b]pyridazin-5-ium-4-one CAS Name: 3-butyl-7-chloro-2-hydroxy-1-(2-methylpropyl)-4-pyrimido[1,2-b]pyridazin-5-iumone IUPAC Name: 3-butyl-7-chloro-2-hydroxy-1-(2-methylpropyl)pyrimido[1,2-b]pyridazin-5-ium-4-one Traditional Name: 3-butyl-7-chloro-2-hydroxy-1-isobutyl-pyrimido[1,2-b]pyridazin-5-ium-4-one Formula: C15H21ClN3O2+ MolecularWeight: 310.79914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=[N+](C1=O)N=C(C=C2)Cl)CC(C)C)O

Isomeric SMILES

CCCCC1=C(N(C2=[N+](C1=O)N=C(C=C2)Cl)CC(C)C)O

InChI

InChI=1S/C15H20ClN3O2/c1-4-5-6-11-14(20)18(9-10(2)3)13-8-7-12(16)17-19(13)15(11)21/h7-8,10H,4-6,9H2,1-3H3/p+1