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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-piperazin-4-ium-1-yl-pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-piperazin-4-ium-1-yl-pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-piperazin-4-ium-1-ylpyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-piperazin-4-ium-1-yl-pyridazin-3-one Formula: C18H26ClN4O+ MolecularWeight: 349.87824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C18H25ClN4O/c19-16-15(22-3-1-20-2-4-22)11-21-23(17(16)24)18-8-12-5-13(9-18)7-14(6-12)10-18/h11-14,20H,1-10H2/p+1