2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(2S)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCCC3C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCC[C@H]3C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C25H30N4O3/c1-17-25(18(2)29(27-17)19-9-6-5-7-10-19)26-24(30)16-28-14-8-11-22(28)21-15-20(31-3)12-13-23(21)32-4/h5-7,9-10,12-13,15,22H,8,11,14,16H2,1-4H3,(H,26,30)/p+1/t22-/m0/s1