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

Systemtic Name: 1-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-4-(4-phenylphenyl)butane-1,4-dione Openeye Name: 1-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]-4-(4-phenylphenyl)butane-1,4-dione CAS Name: 1-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-4-(4-phenylphenyl)butane-1,4-dione IUPAC Name: 1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]-4-(4-phenylphenyl)butane-1,4-dione Traditional Name: 1-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]-4-(4-phenylphenyl)butane-1,4-dione Formula: C26H32N3O4+ MolecularWeight: 450.54998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O4/c30-24(23-8-6-22(7-9-23)21-4-2-1-3-5-21)10-11-25(31)28-14-12-27(13-15-28)20-26(32)29-16-18-33-19-17-29/h1-9H,10-20H2/p+1