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

Systemtic Name: 7-butoxy-3-butyl-2-oxidanyl-1-phenyl-pyrimido[1,2-b]pyridazin-5-ium-4-one Openeye Name: 7-butoxy-3-butyl-2-hydroxy-1-phenyl-pyrimido[1,2-b]pyridazin-5-ium-4-one CAS Name: 7-butoxy-3-butyl-2-hydroxy-1-phenyl-4-pyrimido[1,2-b]pyridazin-5-iumone IUPAC Name: 7-butoxy-3-butyl-2-hydroxy-1-phenylpyrimido[1,2-b]pyridazin-5-ium-4-one Traditional Name: 7-butoxy-3-butyl-2-hydroxy-1-phenyl-pyrimido[1,2-b]pyridazin-5-ium-4-one Formula: C21H26N3O3+ MolecularWeight: 368.44944

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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/p+1