2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C[NH+]2CCCC2C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C[NH+]2CCC[C@@H]2C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H25N3O5/c1-14-17(6-4-7-18(14)24(26)27)22-21(25)13-23-11-5-8-19(23)16-12-15(28-2)9-10-20(16)29-3/h4,6-7,9-10,12,19H,5,8,11,13H2,1-3H3,(H,22,25)/p+1/t19-/m1/s1