6-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]carbonyl-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 6-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]carbonyl-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-6-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-carbonyl]pyridazin-3-one CAS Name: 6-[[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-6-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-carbonyl]pyridazin-3-one Traditional Name: 2-benzyl-6-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-carbonyl]pyridazin-3-one Formula: C22H28N5O4+ MolecularWeight: 426.48882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O4/c28-20-7-6-19(23-27(20)16-18-4-2-1-3-5-18)22(30)26-10-8-24(9-11-26)17-21(29)25-12-14-31-15-13-25/h1-7H,8-17H2/p+1