N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-(4-nitrophenyl)ethanediamide

Systemtic Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-(4-nitrophenyl)ethanediamide Openeye Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-(4-nitrophenyl)oxamide CAS Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-N'-(4-nitrophenyl)oxamide IUPAC Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-N'-(4-nitrophenyl)oxamide Traditional Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-(4-nitrophenyl)oxamide Formula: C22H28N5O4+ MolecularWeight: 426.48882

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCCC3

InChI

InChI=1S/C22H27N5O4/c1-25(2)18-9-5-16(6-10-18)20(26-13-3-4-14-26)15-23-21(28)22(29)24-17-7-11-19(12-8-17)27(30)31/h5-12,20H,3-4,13-15H2,1-2H3,(H,23,28)(H,24,29)/p+1/t20-/m0/s1