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

Systemtic Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-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(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-29-13-8-9-14(18(11-13)30-2)16-7-4-10-22(16)12-23-20(25)15-5-3-6-17(24(27)28)19(15)21(23)26/h3,5-6,8-9,11,16H,4,7,10,12H2,1-2H3/p+1/t16-/m1/s1