(2S)-2-azaniumyl-3-[1-methyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[1-methyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[3-(4-isopropylphenyl)-1-methyl-pyrazol-4-yl]propanoate CAS Name: (2S)-2-ammonio-3-[1-methyl-3-(4-propan-2-ylphenyl)-4-pyrazolyl]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[1-methyl-3-(4-propan-2-ylphenyl)pyrazol-4-yl]propanoate Traditional Name: (2S)-2-ammonio-3-(1-methyl-3-p-cumenyl-pyrazol-4-yl)propionate Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN(C=C2CC(C(=O)[O-])[NH3+])C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN(C=C2C[C@@H](C(=O)[O-])[NH3+])C

InChI

InChI=1S/C16H21N3O2/c1-10(2)11-4-6-12(7-5-11)15-13(9-19(3)18-15)8-14(17)16(20)21/h4-7,9-10,14H,8,17H2,1-3H3,(H,20,21)/t14-/m0/s1