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

Systemtic Name: 2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[(2S)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(4-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=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c1-27-16-9-10-17(19(12-16)28-2)18-4-3-11-22(18)13-20(24)21-14-5-7-15(8-6-14)23(25)26/h5-10,12,18H,3-4,11,13H2,1-2H3,(H,21,24)/p+1/t18-/m0/s1