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

Systemtic Name: 2-[(4-tert-butylphenyl)methyl-propan-2-yl-azaniumyl]ethanoate Openeye Name: 2-[(4-tert-butylphenyl)methyl-isopropyl-ammonio]acetate CAS Name: 2-[(4-tert-butylphenyl)methyl-propan-2-ylammonio]acetate IUPAC Name: 2-[(4-tert-butylphenyl)methyl-propan-2-ylazaniumyl]acetate Traditional Name: 2-[(4-tert-butylbenzyl)-isopropyl-ammonio]acetate Formula: C16H25NO2 MolecularWeight: 263.3752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-12(2)17(11-15(18)19)10-13-6-8-14(9-7-13)16(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,18,19)