4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1-phenyl-pyrazole

Systemtic Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1-phenyl-pyrazole Openeye Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1-phenyl-pyrazole CAS Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-1-phenylpyrazole IUPAC Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1-phenylpyrazole Traditional Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1-phenyl-pyrazole Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CC3=CN(N=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCC[NH+]2CC3=CN(N=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H25N3O2/c1-26-19-10-11-20(22(13-19)27-2)21-9-6-12-24(21)15-17-14-23-25(16-17)18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14,16,21H,6,9,12,15H2,1-2H3/p+1/t21-/m1/s1