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

Systemtic Name: 2-[4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]butyl]isoindoline-1,3-quinone Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CCCCN3C(=O)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCC[NH+]2CCCCN3C(=O)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C24H28N2O4/c1-29-17-11-12-20(22(16-17)30-2)21-10-7-14-25(21)13-5-6-15-26-23(27)18-8-3-4-9-19(18)24(26)28/h3-4,8-9,11-12,16,21H,5-7,10,13-15H2,1-2H3/p+1/t21-/m1/s1