(2S)-3-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]butanoate

Systemtic Name: (2S)-3-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]butanoate Openeye Name: (2S)-2-[(4-isopropylphenyl)methyl-methyl-ammonio]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]ammonio]butanoate IUPAC Name: (2S)-3-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]butanoate Traditional Name: (2S)-2-[(4-isopropylbenzyl)-methyl-ammonio]-3-methyl-butyrate Formula: C16H25NO2 MolecularWeight: 263.3752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-11(2)14-8-6-13(7-9-14)10-17(5)15(12(3)4)16(18)19/h6-9,11-12,15H,10H2,1-5H3,(H,18,19)/t15-/m0/s1