4-methyl-2-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 4-methyl-2-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 4-methyl-2-[[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[(4-isobutyrylpiperazin-1-ium-1-yl)methyl]-4-methyl-phthalazin-1-one Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C[NH+]3CCN(CC3)C(=O)C(C)C

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C[NH+]3CCN(CC3)C(=O)C(C)C

InChI

InChI=1S/C18H24N4O2/c1-13(2)17(23)21-10-8-20(9-11-21)12-22-18(24)16-7-5-4-6-15(16)14(3)19-22/h4-7,13H,8-12H2,1-3H3/p+1