3-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C23H25FN5O3+ MolecularWeight: 438.474703

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)NC)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)NC)F

InChI

InChI=1S/C23H24FN5O3/c1-15(30)16-7-8-20(19(24)13-16)28-11-9-27(10-12-28)14-29-23(32)18-6-4-3-5-17(18)21(26-29)22(31)25-2/h3-8,13H,9-12,14H2,1-2H3,(H,25,31)/p+1