1-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-4-phenyl-butane-1,4-dione

Systemtic Name: 1-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-4-phenyl-butane-1,4-dione Openeye Name: 1-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]-4-phenyl-butane-1,4-dione CAS Name: 1-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-4-phenylbutane-1,4-dione IUPAC Name: 1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]-4-phenylbutane-1,4-dione Traditional Name: 1-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]-4-phenyl-butane-1,4-dione Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)CCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)CCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H27N3O4/c24-18(17-4-2-1-3-5-17)6-7-19(25)22-10-8-21(9-11-22)16-20(26)23-12-14-27-15-13-23/h1-5H,6-16H2/p+1