sodium 3-(1-adamantylamino)-3-oxidanylidene-propanoate

Systemtic Name: sodium 3-(1-adamantylamino)-3-oxidanylidene-propanoate Openeye Name: sodium 3-(1-adamantylamino)-3-oxo-propanoate CAS Name: sodium 3-(1-adamantylamino)-3-oxopropanoate IUPAC Name: sodium 3-(1-adamantylamino)-3-oxopropanoate Traditional Name: sodium 3-(1-adamantylamino)-3-keto-propionate Formula: C13H18NNaO3 MolecularWeight: 259.27669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CC(=O)[O-].[Na+]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CC(=O)[O-].[Na+]

InChI

InChI=1S/C13H19NO3.Na/c15-11(4-12(16)17)14-13-5-8-1-9(6-13)3-10(2-8)7-13;/h8-10H,1-7H2,(H,14,15)(H,16,17);/q;+1/p-1