[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[[(3R)-1-ethyl-5-oxidanylidene-pyrrolidin-3-yl]methyl]-methyl-azanium

Systemtic Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[[(3R)-1-ethyl-5-oxidanylidene-pyrrolidin-3-yl]methyl]-methyl-azanium Openeye Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[[(3R)-1-ethyl-5-oxo-pyrrolidin-3-yl]methyl]-methyl-ammonium CAS Name: [1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl-[[(3R)-1-ethyl-5-oxo-3-pyrrolidinyl]methyl]-methylammonium IUPAC Name: [1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-methylazanium Traditional Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[[(3R)-1-ethyl-5-keto-pyrrolidin-3-yl]methyl]-methyl-ammonium Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(CC1=O)C[NH+](C)CC2=CN(N=C2C3=CC=CC=C3)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCN1C[C@@H](CC1=O)C[NH+](C)CC2=CN(N=C2C3=CC=CC=C3)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C26H32N4O/c1-5-29-16-21(14-25(29)31)15-28(4)17-23-18-30(24-13-19(2)11-12-20(24)3)27-26(23)22-9-7-6-8-10-22/h6-13,18,21H,5,14-17H2,1-4H3/p+1/t21-/m0/s1