2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]-N-(5-methyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+]2CCCC2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+]2CCC[C@H]2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H26N4O3/c1-17-14-23(28(26-17)19-6-3-2-4-7-19)25-24(29)16-27-11-5-8-20(27)18-9-10-21-22(15-18)31-13-12-30-21/h2-4,6-7,9-10,14-15,20H,5,8,11-13,16H2,1H3,(H,25,29)/p+1/t20-/m0/s1