sodium 3-[(4-methylphenyl)-propyl-amino]propanoate

Systemtic Name: sodium 3-[(4-methylphenyl)-propyl-amino]propanoate Openeye Name: sodium 3-(4-methyl-N-propyl-anilino)propanoate CAS Name: sodium 3-(4-methyl-N-propylanilino)propanoate IUPAC Name: sodium 3-(4-methyl-N-propylanilino)propanoate Traditional Name: sodium 3-(4-methyl-N-propyl-anilino)propionate Formula: C13H18NNaO2 MolecularWeight: 243.27729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2.Na/c1-3-9-14(10-8-13(15)16)12-6-4-11(2)5-7-12;/h4-7H,3,8-10H2,1-2H3,(H,15,16);/q;+1/p-1