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

Systemtic Name: disodium (3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1-(3-phosphonatopropyl)piperidin-4-one Openeye Name: disodium (3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylene]-1-(3-phosphonatopropyl)piperidin-4-one CAS Name: disodium (3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1-(3-phosphonatopropyl)-4-piperidinone IUPAC Name: disodium (3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1-(3-phosphonatopropyl)piperidin-4-one Traditional Name: disodium (3E,5E)-3,5-bis[4-(dimethylamino)benzylidene]-1-(3-phosphonatopropyl)-4-piperidone Formula: C26H32N3Na2O4P MolecularWeight: 527.503281

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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)CCCP(=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)CCCP(=O)([O-])[O-])C.[Na+].[Na+]

InChI

InChI=1S/C26H34N3O4P.2Na/c1-27(2)24-10-6-20(7-11-24)16-22-18-29(14-5-15-34(31,32)33)19-23(26(22)30)17-21-8-12-25(13-9-21)28(3)4;;/h6-13,16-17H,5,14-15,18-19H2,1-4H3,(H2,31,32,33);;/q;2*+1/p-2/b22-16+,23-17+;;