N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-fluoranyl-benzamide

Systemtic Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-fluoranyl-benzamide Openeye Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-fluoro-benzamide CAS Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-fluorobenzamide IUPAC Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-2-fluorobenzamide Traditional Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-fluoro-benzamide Formula: C21H26FN2O4+ MolecularWeight: 389.440543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNC(=O)C2=CC=CC=C2F)[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CNC(=O)C2=CC=CC=C2F)[NH+]3CCOCC3)OC

InChI

InChI=1S/C21H25FN2O4/c1-26-19-8-7-15(13-20(19)27-2)18(24-9-11-28-12-10-24)14-23-21(25)16-5-3-4-6-17(16)22/h3-8,13,18H,9-12,14H2,1-2H3,(H,23,25)/p+1/t18-/m0/s1