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

Systemtic Name: 2-[[(2S)-butan-2-yl]-[(4-propan-2-ylphenyl)methyl]azaniumyl]ethanoate Openeye Name: 2-[(4-isopropylphenyl)methyl-[(1S)-1-methylpropyl]ammonio]acetate CAS Name: 2-[[(2S)-butan-2-yl]-[(4-propan-2-ylphenyl)methyl]ammonio]acetate IUPAC Name: 2-[[(2S)-butan-2-yl]-[(4-propan-2-ylphenyl)methyl]azaniumyl]acetate Traditional Name: 2-[(4-isopropylbenzyl)-[(1S)-1-methylpropyl]ammonio]acetate Formula: C16H25NO2 MolecularWeight: 263.3752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-5-13(4)17(11-16(18)19)10-14-6-8-15(9-7-14)12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,19)/t13-/m0/s1