3-azaniumyl-3-[4-(3-methylbutyl)phenyl]propanoate

Systemtic Name: 3-azaniumyl-3-[4-(3-methylbutyl)phenyl]propanoate Openeye Name: 3-azaniumyl-3-(4-isopentylphenyl)propanoate CAS Name: 3-ammonio-3-[4-(3-methylbutyl)phenyl]propanoate IUPAC Name: 3-azaniumyl-3-[4-(3-methylbutyl)phenyl]propanoate Traditional Name: 3-ammonio-3-(4-isoamylphenyl)propionate Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=C(C=C1)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)CCC1=CC=C(C=C1)C(CC(=O)[O-])[NH3+]

InChI

InChI=1S/C14H21NO2/c1-10(2)3-4-11-5-7-12(8-6-11)13(15)9-14(16)17/h5-8,10,13H,3-4,9,15H2,1-2H3,(H,16,17)