N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-nitrophenyl)acetamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-nitrophenyl)acetamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCCC3

InChI

InChI=1S/C21H25N3O4/c1-28-19-10-6-17(7-11-19)20(23-12-2-3-13-23)15-22-21(25)14-16-4-8-18(9-5-16)24(26)27/h4-11,20H,2-3,12-15H2,1H3,(H,22,25)/p+1/t20-/m0/s1