7-butoxy-3-butyl-4-oxidanylidene-1-phenyl-pyrimido[1,2-b]pyridazin-5-ium-2-olate

Systemtic Name: 7-butoxy-3-butyl-4-oxidanylidene-1-phenyl-pyrimido[1,2-b]pyridazin-5-ium-2-olate Openeye Name: 7-butoxy-3-butyl-4-oxo-1-phenyl-pyrimido[1,2-b]pyridazin-5-ium-2-olate CAS Name: 7-butoxy-3-butyl-4-oxo-1-phenyl-2-pyrimido[1,2-b]pyridazin-5-iumolate IUPAC Name: 7-butoxy-3-butyl-4-oxo-1-phenylpyrimido[1,2-b]pyridazin-5-ium-2-olate Traditional Name: 7-butoxy-3-butyl-4-keto-1-phenyl-pyrimido[1,2-b]pyridazin-5-ium-2-olate Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=[N+](C1=O)N=C(C=C2)OCCCC)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCCC1=C(N(C2=[N+](C1=O)N=C(C=C2)OCCCC)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H25N3O3/c1-3-5-12-17-20(25)23(16-10-8-7-9-11-16)19-14-13-18(27-15-6-4-2)22-24(19)21(17)26/h7-11,13-14H,3-6,12,15H2,1-2H3