3-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-pyrazolo[1,2-a]pyridazin-4-ium-1-ol bromide

Systemtic Name: 3-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-pyrazolo[1,2-a]pyridazin-4-ium-1-ol bromide Openeye Name: 3-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-pyrazolo[1,2-a]pyridazin-4-ium-1-ol bromide CAS Name: 3-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-pyrazolo[1,2-a]pyridazin-4-ium-1-ol bromide IUPAC Name: 3-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-pyrazolo[1,2-a]pyridazin-4-ium-1-ol bromide Traditional Name: 3-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-pyrazolo[1,2-a]pyridazin-4-ium-1-ol bromide Formula: C20H23BrN2O2 MolecularWeight: 403.31282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[N+]3CCCCN3C(C2)(C4=CC=CC=C4)O.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=[N+]3CCCCN3C(C2)(C4=CC=CC=C4)O.[Br-]

InChI

InChI=1S/C20H23N2O2.BrH/c1-24-18-11-9-16(10-12-18)19-15-20(23,17-7-3-2-4-8-17)22-14-6-5-13-21(19)22;/h2-4,7-12,23H,5-6,13-15H2,1H3;1H/q+1;/p-1