(2S)-2-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]azaniumyl]ethanoate

Systemtic Name: (2S)-2-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]azaniumyl]ethanoate Openeye Name: (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]ammonio]-2-(p-tolyl)acetate CAS Name: (2S)-2-(4-methylphenyl)-2-[methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonio]acetate IUPAC Name: (2S)-2-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]azaniumyl]acetate Traditional Name: (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]ammonio]-2-(p-tolyl)acetate Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)[O-])[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(=O)[O-])[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2/c1-15-8-10-17(11-9-15)19(20(24)25)22(2)13-16-12-21-23(14-16)18-6-4-3-5-7-18/h3-12,14,19H,13H2,1-2H3,(H,24,25)/t19-/m0/s1