2-(1-adamantyl)-4-chloranyl-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Formula: C19H28ClN4O+ MolecularWeight: 363.90482

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C19H27ClN4O/c1-22-2-4-23(5-3-22)16-12-21-24(18(25)17(16)20)19-9-13-6-14(10-19)8-15(7-13)11-19/h12-15H,2-11H2,1H3/p+1