(2S)-2-[(2-chlorophenyl)methyl-methyl-azaniumyl]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(2-chlorophenyl)methyl-methyl-azaniumyl]-3-methyl-butanoate Openeye Name: (2S)-2-[(2-chlorophenyl)methyl-methyl-ammonio]-3-methyl-butanoate CAS Name: (2S)-2-[(2-chlorophenyl)methyl-methylammonio]-3-methylbutanoate IUPAC Name: (2S)-2-[(2-chlorophenyl)methyl-methylazaniumyl]-3-methylbutanoate Traditional Name: (2S)-2-[(2-chlorobenzyl)-methyl-ammonio]-3-methyl-butyrate Formula: C13H18ClNO2 MolecularWeight: 255.74052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH+](C)CC1=CC=CC=C1Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH+](C)CC1=CC=CC=C1Cl

InChI

InChI=1S/C13H18ClNO2/c1-9(2)12(13(16)17)15(3)8-10-6-4-5-7-11(10)14/h4-7,9,12H,8H2,1-3H3,(H,16,17)/t12-/m0/s1