(2R)-2-[(4-ethylphenyl)methyl-methyl-azaniumyl]-3-methyl-butanoate

Systemtic Name: (2R)-2-[(4-ethylphenyl)methyl-methyl-azaniumyl]-3-methyl-butanoate Openeye Name: (2R)-2-[(4-ethylphenyl)methyl-methyl-ammonio]-3-methyl-butanoate CAS Name: (2R)-2-[(4-ethylphenyl)methyl-methylammonio]-3-methylbutanoate IUPAC Name: (2R)-2-[(4-ethylphenyl)methyl-methylazaniumyl]-3-methylbutanoate Traditional Name: (2R)-2-[(4-ethylbenzyl)-methyl-ammonio]-3-methyl-butyrate Formula: C15H23NO2 MolecularWeight: 249.34862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO2/c1-5-12-6-8-13(9-7-12)10-16(4)14(11(2)3)15(17)18/h6-9,11,14H,5,10H2,1-4H3,(H,17,18)/t14-/m1/s1