disodium (3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1-(2-phosphonatoethyl)piperidin-4-one

Systemtic Name: disodium (3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1-(2-phosphonatoethyl)piperidin-4-one Openeye Name: disodium (3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylene]-1-(2-phosphonatoethyl)piperidin-4-one CAS Name: disodium (3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1-(2-phosphonatoethyl)-4-piperidinone IUPAC Name: disodium (3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1-(2-phosphonatoethyl)piperidin-4-one Traditional Name: disodium (3E,5E)-3,5-bis[4-(dimethylamino)benzylidene]-1-(2-phosphonatoethyl)-4-piperidone Formula: C25H30N3Na2O4P MolecularWeight: 513.476701

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C2CN(CC(=CC3=CC=C(C=C3)N(C)C)C2=O)CCP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CN(C1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/CN(C2)CCP(=O)([O-])[O-])C.[Na+].[Na+]

InChI

InChI=1S/C25H32N3O4P.2Na/c1-26(2)23-9-5-19(6-10-23)15-21-17-28(13-14-33(30,31)32)18-22(25(21)29)16-20-7-11-24(12-8-20)27(3)4;;/h5-12,15-16H,13-14,17-18H2,1-4H3,(H2,30,31,32);;/q;2*+1/p-2/b21-15+,22-16+;;