methyl (2S)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCCC3C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCC[C@H]3C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3/c1-28-20-11-6-8-17(14-20)22-18(15-25-13-7-12-21(25)23(27)29-2)16-26(24-22)19-9-4-3-5-10-19/h3-6,8-11,14,16,21H,7,12-13,15H2,1-2H3/p+1/t21-/m0/s1