4-chloranyl-5-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[[1-(4-morpholin-4-iumyl)cyclohexyl]methylamino]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-phenyl-pyridazin-3-one Formula: C21H28ClN4O2+ MolecularWeight: 403.92562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)[NH+]4CCOCC4

InChI

InChI=1S/C21H27ClN4O2/c22-19-18(15-24-26(20(19)27)17-7-3-1-4-8-17)23-16-21(9-5-2-6-10-21)25-11-13-28-14-12-25/h1,3-4,7-8,15,23H,2,5-6,9-14,16H2/p+1