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

Systemtic Name: 4-[2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-2-methyl-phthalazin-1-one CAS Name: 4-[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-2-methyl-phthalazin-1-one Formula: C23H26FN4O3+ MolecularWeight: 425.475943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CC[NH+](CC3)CC4=C(C=CC(=C4)F)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CC[NH+](CC3)CC4=C(C=CC(=C4)F)OC

InChI

InChI=1S/C23H25FN4O3/c1-26-23(30)19-6-4-3-5-18(19)20(25-26)14-22(29)28-11-9-27(10-12-28)15-16-13-17(24)7-8-21(16)31-2/h3-8,13H,9-12,14-15H2,1-2H3/p+1