(2S)-2-[(4-bromophenyl)methyl-methyl-azaniumyl]-2-(4-methylphenyl)ethanoate

Systemtic Name: (2S)-2-[(4-bromophenyl)methyl-methyl-azaniumyl]-2-(4-methylphenyl)ethanoate Openeye Name: (2S)-2-[(4-bromophenyl)methyl-methyl-ammonio]-2-(p-tolyl)acetate CAS Name: (2S)-2-[(4-bromophenyl)methyl-methylammonio]-2-(4-methylphenyl)acetate IUPAC Name: (2S)-2-[(4-bromophenyl)methyl-methylazaniumyl]-2-(4-methylphenyl)acetate Traditional Name: (2S)-2-[(4-bromobenzyl)-methyl-ammonio]-2-(p-tolyl)acetate Formula: C17H18BrNO2 MolecularWeight: 348.23432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)[O-])[NH+](C)CC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(=O)[O-])[NH+](C)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H18BrNO2/c1-12-3-7-14(8-4-12)16(17(20)21)19(2)11-13-5-9-15(18)10-6-13/h3-10,16H,11H2,1-2H3,(H,20,21)/t16-/m0/s1