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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C20H23ClN3O5+ MolecularWeight: 420.86672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O5/c1-28-14-6-7-15(19(11-14)29-2)18-4-3-9-23(18)12-20(25)22-17-8-5-13(24(26)27)10-16(17)21/h5-8,10-11,18H,3-4,9,12H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1