2-[(4-tert-butylphenyl)methylazaniumyl]ethanoate

Systemtic Name: 2-[(4-tert-butylphenyl)methylazaniumyl]ethanoate Openeye Name: 2-[(4-tert-butylphenyl)methylammonio]acetate CAS Name: 2-[(4-tert-butylphenyl)methylammonio]acetate IUPAC Name: 2-[(4-tert-butylphenyl)methylazaniumyl]acetate Traditional Name: 2-[(4-tert-butylbenzyl)ammonio]acetate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH2+]CC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH2+]CC(=O)[O-]

InChI

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