azanium 2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: azanium 2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: ammonium 2-(4-isobutylphenyl)propanoate CAS Name: ammonium 2-[4-(2-methylpropyl)phenyl]propanoate IUPAC Name: azanium 2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: ammonium 2-(4-isobutylphenyl)propionate Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].[NH4+]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].[NH4+]

InChI

InChI=1S/C13H18O2.H3N/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);1H3