4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-methyl-phthalazin-1-one

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-phthalazin-1-one CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methylphthalazin-1-one Traditional Name: 4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-phthalazin-1-one Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C16H20N4O2/c1-3-19-8-10-20(11-9-19)16(22)14-12-6-4-5-7-13(12)15(21)18(2)17-14/h4-7H,3,8-11H2,1-2H3/p+1