2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H22N3O6+ MolecularWeight: 412.41588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCC[NH+]2CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21N3O6/c1-29-14-6-8-16(19(11-14)30-2)18-4-3-9-22(18)12-23-20(25)15-7-5-13(24(27)28)10-17(15)21(23)26/h5-8,10-11,18H,3-4,9,12H2,1-2H3/p+1/t18-/m1/s1