2-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(3-fluoro-4-methoxy-benzyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C21H24FN4O2+ MolecularWeight: 383.439263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C=N3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C=N3)F

InChI

InChI=1S/C21H23FN4O2/c1-28-20-7-6-16(12-19(20)22)14-24-8-10-25(11-9-24)15-26-21(27)18-5-3-2-4-17(18)13-23-26/h2-7,12-13H,8-11,14-15H2,1H3/p+1