(2S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+]4CCCC4C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+]4CCC[C@H]4C(=O)N

InChI

InChI=1S/C23H26N4O/c1-16-10-11-17(2)21(13-16)27-15-19(14-26-12-6-9-20(26)23(24)28)22(25-27)18-7-4-3-5-8-18/h3-5,7-8,10-11,13,15,20H,6,9,12,14H2,1-2H3,(H2,24,28)/p+1/t20-/m0/s1