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

Systemtic Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-fluoranyl-benzamide Openeye Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-fluoro-benzamide CAS Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-fluorobenzamide IUPAC Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]-3-fluorobenzamide Traditional Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-fluoro-benzamide Formula: C21H27FN3O2+ MolecularWeight: 372.456383

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)F)[NH+]3CCOCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=CC=C2)F)[NH+]3CCOCC3

InChI

InChI=1S/C21H26FN3O2/c1-24(2)19-8-6-16(7-9-19)20(25-10-12-27-13-11-25)15-23-21(26)17-4-3-5-18(22)14-17/h3-9,14,20H,10-13,15H2,1-2H3,(H,23,26)/p+1/t20-/m0/s1