N-(5-fluoranyl-2-methyl-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-fluoranyl-2-methyl-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide Openeye Name: N-(5-fluoro-2-methyl-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide CAS Name: N-(5-fluoro-2-methylphenyl)-2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]acetamide IUPAC Name: N-(5-fluoro-2-methylphenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Traditional Name: N-(5-fluoro-2-methyl-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Formula: C22H28FN2O2+ MolecularWeight: 371.468323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)C[NH+]2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)C[NH+]2CCCCC[C@@H]2C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27FN2O2/c1-16-7-10-18(23)14-20(16)24-22(26)15-25-13-5-3-4-6-21(25)17-8-11-19(27-2)12-9-17/h7-12,14,21H,3-6,13,15H2,1-2H3,(H,24,26)/p+1/t21-/m1/s1