4-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-methyl-phthalazin-1-one

Systemtic Name: 4-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-(4-m-anisylpiperazin-4-ium-1-carbonyl)-2-methyl-phthalazin-1-one Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c1-24-21(27)19-9-4-3-8-18(19)20(23-24)22(28)26-12-10-25(11-13-26)15-16-6-5-7-17(14-16)29-2/h3-9,14H,10-13,15H2,1-2H3/p+1