4-methyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]phthalazin-1-one Openeye Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-methyl-phthalazin-1-one CAS Name: 4-methyl-2-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-1-phthalazinone IUPAC Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one Traditional Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4-methyl-phthalazin-1-one Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2/c1-17-19-9-5-6-10-20(19)22(28)26(23-17)16-21(27)25-13-11-24(12-14-25)15-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3/p+1