2-(1-adamantyl)-4-chloranyl-5-(2-morpholin-4-ium-4-ylethylamino)pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-(2-morpholin-4-ium-4-ylethylamino)pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(2-morpholin-4-ium-4-ylethylamino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-[2-(4-morpholin-4-iumyl)ethylamino]-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(2-morpholin-4-ium-4-ylethylamino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(2-morpholin-4-ium-4-ylethylamino)pyridazin-3-one Formula: C20H30ClN4O2+ MolecularWeight: 393.9308

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

C1COCC[NH+]1CCNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C20H29ClN4O2/c21-18-17(22-1-2-24-3-5-27-6-4-24)13-23-25(19(18)26)20-10-14-7-15(11-20)9-16(8-14)12-20/h13-16,22H,1-12H2/p+1