2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)azaniumyl]ethanoate

Systemtic Name: 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)azaniumyl]ethanoate Openeye Name: 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)ammonio]acetate CAS Name: 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)ammonio]acetate IUPAC Name: 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)azaniumyl]acetate Traditional Name: 2-[(4-tert-butylbenzyl)-(2-methoxyethyl)ammonio]acetate Formula: C16H25NO3 MolecularWeight: 279.3746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](CCOC)CC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](CCOC)CC(=O)[O-]

InChI

InChI=1S/C16H25NO3/c1-16(2,3)14-7-5-13(6-8-14)11-17(9-10-20-4)12-15(18)19/h5-8H,9-12H2,1-4H3,(H,18,19)