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

Systemtic Name: 5-chloranyl-1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 5-chloro-1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-chloro-1-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-chloro-1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-chloro-1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]isatin Formula: C21H22ClN2O4+ MolecularWeight: 401.86338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CN3C4=C(C=C(C=C4)Cl)C(=O)C3=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCC[NH+]2CN3C4=C(C=C(C=C4)Cl)C(=O)C3=O)OC

InChI

InChI=1S/C21H21ClN2O4/c1-27-14-6-7-15(19(11-14)28-2)17-4-3-9-23(17)12-24-18-8-5-13(22)10-16(18)20(25)21(24)26/h5-8,10-11,17H,3-4,9,12H2,1-2H3/p+1/t17-/m1/s1