2-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]azaniumyl]ethanoate

Systemtic Name: 2-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]azaniumyl]ethanoate Openeye Name: 2-[(3-methoxyphenyl)methyl-[(1S)-1-methylpropyl]ammonio]acetate CAS Name: 2-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]ammonio]acetate IUPAC Name: 2-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]azaniumyl]acetate Traditional Name: 2-[m-anisyl-[(1S)-1-methylpropyl]ammonio]acetate Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3/c1-4-11(2)15(10-14(16)17)9-12-6-5-7-13(8-12)18-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)/t11-/m0/s1