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

Systemtic Name: 2-[[(2S)-butan-2-yl]-[(4-ethylphenyl)methyl]azaniumyl]ethanoate Openeye Name: 2-[(4-ethylphenyl)methyl-[(1S)-1-methylpropyl]ammonio]acetate CAS Name: 2-[[(2S)-butan-2-yl]-[(4-ethylphenyl)methyl]ammonio]acetate IUPAC Name: 2-[[(2S)-butan-2-yl]-[(4-ethylphenyl)methyl]azaniumyl]acetate Traditional Name: 2-[(4-ethylbenzyl)-[(1S)-1-methylpropyl]ammonio]acetate Formula: C15H23NO2 MolecularWeight: 249.34862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](CC(=O)[O-])[C@@H](C)CC

InChI

InChI=1S/C15H23NO2/c1-4-12(3)16(11-15(17)18)10-14-8-6-13(5-2)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,18)/t12-/m0/s1