2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-nitrophenyl)acetamide Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CC(=O)NC3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCC[NH+]2CC(=O)NC3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O5/c1-27-14-9-10-15(19(12-14)28-2)17-8-5-11-22(17)13-20(24)21-16-6-3-4-7-18(16)23(25)26/h3-4,6-7,9-10,12,17H,5,8,11,13H2,1-2H3,(H,21,24)/p+1/t17-/m1/s1