(2S)-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[[3-(m-tolyl)-1-(p-tolyl)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)N2C=C(C(=N2)C3=CC(=CC=C3)C)C[NH+]4CCCC4C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O/c1-16-8-10-20(11-9-16)27-15-19(14-26-12-4-7-21(26)23(24)28)22(25-27)18-6-3-5-17(2)13-18/h3,5-6,8-11,13,15,21H,4,7,12,14H2,1-2H3,(H2,24,28)/p+1/t21-/m0/s1