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

Systemtic Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 5-nitro-2-[[(2R)-2-p-phenetylpyrrolidin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C21H22N3O5+ MolecularWeight: 396.41648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCC[NH+]2CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCC[NH+]2CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-2-29-16-8-5-14(6-9-16)19-4-3-11-22(19)13-23-20(25)17-10-7-15(24(27)28)12-18(17)21(23)26/h5-10,12,19H,2-4,11,13H2,1H3/p+1/t19-/m1/s1