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

Systemtic Name: 2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCC[NH+]2CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCC[NH+]2CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H22N2O4/c1-26-14-9-10-19(27-2)17(12-14)18-8-5-11-22(18)13-23-20(24)15-6-3-4-7-16(15)21(23)25/h3-4,6-7,9-10,12,18H,5,8,11,13H2,1-2H3/p+1/t18-/m1/s1