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

Systemtic Name: (2S)-2-azaniumyl-3-[3-(3-methoxyphenyl)-1-methyl-pyrazol-4-yl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[3-(3-methoxyphenyl)-1-methyl-pyrazol-4-yl]propanoate CAS Name: (2S)-2-ammonio-3-[3-(3-methoxyphenyl)-1-methyl-4-pyrazolyl]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]propanoate Traditional Name: (2S)-2-ammonio-3-[3-(3-methoxyphenyl)-1-methyl-pyrazol-4-yl]propionate Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)OC)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)OC)C[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C14H17N3O3/c1-17-8-10(7-12(15)14(18)19)13(16-17)9-4-3-5-11(6-9)20-2/h3-6,8,12H,7,15H2,1-2H3,(H,18,19)/t12-/m0/s1