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

Systemtic Name: (2S)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2/c1-28-19-10-5-7-16(13-19)21-17(14-25-12-6-11-20(25)22(23)27)15-26(24-21)18-8-3-2-4-9-18/h2-5,7-10,13,15,20H,6,11-12,14H2,1H3,(H2,23,27)/p+1/t20-/m0/s1