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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(4-nitrophenyl)acetamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(4-nitrophenyl)acetamide Formula: C21H26N3O5+ MolecularWeight: 400.44824

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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+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCOCC3

InChI

InChI=1S/C21H25N3O5/c1-28-19-8-4-17(5-9-19)20(23-10-12-29-13-11-23)15-22-21(25)14-16-2-6-18(7-3-16)24(26)27/h2-9,20H,10-15H2,1H3,(H,22,25)/p+1/t20-/m0/s1