4-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Formula: C21H22FN4O3+ MolecularWeight: 397.422783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H21FN4O3/c1-29-18-7-6-15(22)12-14(18)13-25-8-10-26(11-9-25)21(28)19-16-4-2-3-5-17(16)20(27)24-23-19/h2-7,12H,8-11,13H2,1H3,(H,24,27)/p+1