2-(4-fluoranylphenoxy)ethyl-bis[(1-oxidanylidenephthalazin-2-yl)methyl]azanium

Systemtic Name: 2-(4-fluoranylphenoxy)ethyl-bis[(1-oxidanylidenephthalazin-2-yl)methyl]azanium Openeye Name: 2-(4-fluorophenoxy)ethyl-bis[(1-oxophthalazin-2-yl)methyl]ammonium CAS Name: 2-(4-fluorophenoxy)ethyl-bis[(1-oxo-2-phthalazinyl)methyl]ammonium IUPAC Name: 2-(4-fluorophenoxy)ethyl-bis[(1-oxophthalazin-2-yl)methyl]azanium Traditional Name: 2-(4-fluorophenoxy)ethyl-bis[(1-ketophthalazin-2-yl)methyl]ammonium Formula: C26H23FN5O3+ MolecularWeight: 472.490923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)C[NH+](CCOC3=CC=C(C=C3)F)CN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)C[NH+](CCOC3=CC=C(C=C3)F)CN4C(=O)C5=CC=CC=C5C=N4

InChI

InChI=1S/C26H22FN5O3/c27-21-9-11-22(12-10-21)35-14-13-30(17-31-25(33)23-7-3-1-5-19(23)15-28-31)18-32-26(34)24-8-4-2-6-20(24)16-29-32/h1-12,15-16H,13-14,17-18H2/p+1