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

Systemtic Name: methyl (2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[1-methyl-3-(4-phenoxyphenyl)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:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+]4CCCC4C(=O)OC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+]4CCC[C@H]4C(=O)OC

InChI

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