sodium 3-[(2,6-dimethylphenyl)-ethyl-amino]propanoate

Systemtic Name: sodium 3-[(2,6-dimethylphenyl)-ethyl-amino]propanoate Openeye Name: sodium 3-(N-ethyl-2,6-dimethyl-anilino)propanoate CAS Name: sodium 3-(N-ethyl-2,6-dimethylanilino)propanoate IUPAC Name: sodium 3-(N-ethyl-2,6-dimethylanilino)propanoate Traditional Name: sodium 3-(N-ethyl-2,6-dimethyl-anilino)propionate Formula: C13H18NNaO2 MolecularWeight: 243.27729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)[O-])C1=C(C=CC=C1C)C.[Na+]

Isomeric SMILES

CCN(CCC(=O)[O-])C1=C(C=CC=C1C)C.[Na+]

InChI

InChI=1S/C13H19NO2.Na/c1-4-14(9-8-12(15)16)13-10(2)6-5-7-11(13)3;/h5-7H,4,8-9H2,1-3H3,(H,15,16);/q;+1/p-1