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

Systemtic Name: 5-bromanyl-N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-fluoranyl-benzamide Openeye Name: 5-bromo-N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-fluoro-benzamide CAS Name: 5-bromo-N-[(2R)-3-ethyl-2-(4-morpholin-4-iumyl)pentyl]-2-fluorobenzamide IUPAC Name: 5-bromo-N-[(2R)-3-ethyl-2-morpholin-4-ium-4-ylpentyl]-2-fluorobenzamide Traditional Name: 5-bromo-N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-fluoro-benzamide Formula: C18H27BrFN2O2+ MolecularWeight: 402.321583

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC(=O)C1=C(C=CC(=C1)Br)F)[NH+]2CCOCC2

Isomeric SMILES

CCC(CC)[C@H](CNC(=O)C1=C(C=CC(=C1)Br)F)[NH+]2CCOCC2

InChI

InChI=1S/C18H26BrFN2O2/c1-3-13(4-2)17(22-7-9-24-10-8-22)12-21-18(23)15-11-14(19)5-6-16(15)20/h5-6,11,13,17H,3-4,7-10,12H2,1-2H3,(H,21,23)/p+1/t17-/m0/s1