2-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azaniumyl]ethanoate

Systemtic Name: 2-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azaniumyl]ethanoate Openeye Name: 2-[o-tolylmethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonio]acetate CAS Name: 2-[(2-methylphenyl)methyl-[[(2R)-2-oxolanyl]methyl]ammonio]acetate IUPAC Name: 2-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azaniumyl]acetate Traditional Name: 2-[(2-methylbenzyl)-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonio]acetate Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](CC2CCCO2)CC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C[C@H]2CCCO2)CC(=O)[O-]

InChI

InChI=1S/C15H21NO3/c1-12-5-2-3-6-13(12)9-16(11-15(17)18)10-14-7-4-8-19-14/h2-3,5-6,14H,4,7-11H2,1H3,(H,17,18)/t14-/m1/s1