4-[[5-(5,6-diphenylpyridazin-3-yl)-2-methoxy-phenyl]methyl]morpholin-4-ium

Systemtic Name: 4-[[5-(5,6-diphenylpyridazin-3-yl)-2-methoxy-phenyl]methyl]morpholin-4-ium Openeye Name: 4-[[5-(5,6-diphenylpyridazin-3-yl)-2-methoxy-phenyl]methyl]morpholin-4-ium CAS Name: 4-[[5-(5,6-diphenyl-3-pyridazinyl)-2-methoxyphenyl]methyl]morpholin-4-ium IUPAC Name: 4-[[5-(5,6-diphenylpyridazin-3-yl)-2-methoxyphenyl]methyl]morpholin-4-ium Traditional Name: 4-[5-(5,6-diphenylpyridazin-3-yl)-2-methoxy-benzyl]morpholin-4-ium Formula: C28H28N3O2+ MolecularWeight: 438.54082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C[NH+]5CCOCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C[NH+]5CCOCC5

InChI

InChI=1S/C28H27N3O2/c1-32-27-13-12-23(18-24(27)20-31-14-16-33-17-15-31)26-19-25(21-8-4-2-5-9-21)28(30-29-26)22-10-6-3-7-11-22/h2-13,18-19H,14-17,20H2,1H3/p+1