2-[(3-methylimidazol-4-yl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one

Systemtic Name: 2-[(3-methylimidazol-4-yl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Openeye Name: 2-[(3-methylimidazol-4-yl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one CAS Name: 2-[(3-methyl-4-imidazolyl)methyl]-5-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-[(3-methylimidazol-4-yl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Traditional Name: 2-[(3-methylimidazol-4-yl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Formula: C14H21N6O+ MolecularWeight: 289.35614

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=O)N(N=C2)CC3=CN=CN3C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=O)N(N=C2)CC3=CN=CN3C

InChI

InChI=1S/C14H20N6O/c1-17-3-5-19(6-4-17)12-7-14(21)20(16-9-12)10-13-8-15-11-18(13)2/h7-9,11H,3-6,10H2,1-2H3/p+1