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

Systemtic Name: 4-azanyl-2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C21H24N3O4+ MolecularWeight: 382.43296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCC[NH+]2CN3C(=O)C4=C(C3=O)C(=CC=C4)N

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-27-13-8-9-18(28-2)15(11-13)17-7-4-10-23(17)12-24-20(25)14-5-3-6-16(22)19(14)21(24)26/h3,5-6,8-9,11,17H,4,7,10,12,22H2,1-2H3/p+1/t17-/m1/s1