disodium 2-[1-(phenylmethyl)piperidin-4-yl]propanedioate

Systemtic Name: disodium 2-[1-(phenylmethyl)piperidin-4-yl]propanedioate Openeye Name: disodium 2-(1-benzyl-4-piperidyl)propanedioate CAS Name: disodium 2-[1-(phenylmethyl)-4-piperidinyl]propanedioate IUPAC Name: disodium 2-(1-benzylpiperidin-4-yl)propanedioate Traditional Name: disodium 2-(1-benzyl-4-piperidyl)malonate Formula: C15H17NNa2O4 MolecularWeight: 321.27932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C(=O)[O-])C(=O)[O-])CC2=CC=CC=C2.[Na+].[Na+]

Isomeric SMILES

C1CN(CCC1C(C(=O)[O-])C(=O)[O-])CC2=CC=CC=C2.[Na+].[Na+]

InChI

InChI=1S/C15H19NO4.2Na/c17-14(18)13(15(19)20)12-6-8-16(9-7-12)10-11-4-2-1-3-5-11;;/h1-5,12-13H,6-10H2,(H,17,18)(H,19,20);;/q;2*+1/p-2