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

Systemtic Name: 2-[[(2S)-butan-2-yl]-[(4-tert-butylphenyl)methyl]azaniumyl]ethanoate Openeye Name: 2-[(4-tert-butylphenyl)methyl-[(1S)-1-methylpropyl]ammonio]acetate CAS Name: 2-[[(2S)-butan-2-yl]-[(4-tert-butylphenyl)methyl]ammonio]acetate IUPAC Name: 2-[[(2S)-butan-2-yl]-[(4-tert-butylphenyl)methyl]azaniumyl]acetate Traditional Name: 2-[(4-tert-butylbenzyl)-[(1S)-1-methylpropyl]ammonio]acetate Formula: C17H27NO2 MolecularWeight: 277.40178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-6-13(2)18(12-16(19)20)11-14-7-9-15(10-8-14)17(3,4)5/h7-10,13H,6,11-12H2,1-5H3,(H,19,20)/t13-/m0/s1