methyl 3-[(4R)-3,5-dimethyl-1-phenyl-4H-pyrazol-1-ium-4-yl]propanoate

Systemtic Name: methyl 3-[(4R)-3,5-dimethyl-1-phenyl-4H-pyrazol-1-ium-4-yl]propanoate Openeye Name: methyl 3-[(4R)-3,5-dimethyl-1-phenyl-4H-pyrazol-1-ium-4-yl]propanoate CAS Name: 3-[(4R)-3,5-dimethyl-1-phenyl-4H-pyrazol-1-ium-4-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(4R)-3,5-dimethyl-1-phenyl-4H-pyrazol-1-ium-4-yl]propanoate Traditional Name: 3-[(4R)-3,5-dimethyl-1-phenyl-4H-pyrazol-1-ium-4-yl]propionic acid methyl ester Formula: C15H19N2O2+ MolecularWeight: 259.32356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=C(C1CCC(=O)OC)C)C2=CC=CC=C2

Isomeric SMILES

CC1=N[N+](=C([C@@H]1CCC(=O)OC)C)C2=CC=CC=C2

InChI

InChI=1S/C15H19N2O2/c1-11-14(9-10-15(18)19-3)12(2)17(16-11)13-7-5-4-6-8-13/h4-8,14H,9-10H2,1-3H3/q+1/t14-/m1/s1