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

Systemtic Name: (3R)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-3-ol Openeye Name: (3R)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-3-ol CAS Name: (3R)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]-3-pyrrolidin-1-iumol IUPAC Name: (3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]pyrrolidin-1-ium-3-ol Traditional Name: (3R)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-3-ol Formula: C22H26N3O+ MolecularWeight: 348.46134

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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+]4CCC(C4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+]4CC[C@H](C4)O

InChI

InChI=1S/C22H25N3O/c1-16-8-9-17(2)21(12-16)25-14-19(13-24-11-10-20(26)15-24)22(23-25)18-6-4-3-5-7-18/h3-9,12,14,20,26H,10-11,13,15H2,1-2H3/p+1/t20-/m1/s1