(2S)-2-[(4-tert-butylphenyl)methyl-methyl-azaniumyl]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(4-tert-butylphenyl)methyl-methyl-azaniumyl]-3-methyl-butanoate Openeye Name: (2S)-2-[(4-tert-butylphenyl)methyl-methyl-ammonio]-3-methyl-butanoate CAS Name: (2S)-2-[(4-tert-butylphenyl)methyl-methylammonio]-3-methylbutanoate IUPAC Name: (2S)-2-[(4-tert-butylphenyl)methyl-methylazaniumyl]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzyl)-methyl-ammonio]-3-methyl-butyrate Formula: C17H27NO2 MolecularWeight: 277.40178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-12(2)15(16(19)20)18(6)11-13-7-9-14(10-8-13)17(3,4)5/h7-10,12,15H,11H2,1-6H3,(H,19,20)/t15-/m0/s1