methyl (2S)-1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC[NH+]1CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@H]1CCC[NH+]1CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2/c1-27-22(26)20-8-5-13-25(20)15-19-14-23-24-21(19)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,20H,5,8,13,15H2,1H3,(H,23,24)/p+1/t20-/m0/s1