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

Systemtic Name: 2-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CCN3C(=O)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCC[NH+]2CCN3C(=O)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C22H24N2O4/c1-27-15-9-10-18(20(14-15)28-2)19-8-5-11-23(19)12-13-24-21(25)16-6-3-4-7-17(16)22(24)26/h3-4,6-7,9-10,14,19H,5,8,11-13H2,1-2H3/p+1/t19-/m1/s1