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

Systemtic Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[(2R)-2-p-phenetylpyrrolidin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCC[NH+]2CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCC[NH+]2CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H22N2O3/c1-2-26-16-11-9-15(10-12-16)19-8-5-13-22(19)14-23-20(24)17-6-3-4-7-18(17)21(23)25/h3-4,6-7,9-12,19H,2,5,8,13-14H2,1H3/p+1/t19-/m1/s1