4-fluoranyl-3-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-fluoro-3-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-fluoro-3-[[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]methyl]benzonitrile IUPAC Name: 4-fluoro-3-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-fluoro-3-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]benzonitrile Formula: C21H24FN2O+ MolecularWeight: 339.426463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C21H23FN2O/c1-25-19-9-7-17(8-10-19)21-5-3-2-4-12-24(21)15-18-13-16(14-23)6-11-20(18)22/h6-11,13,21H,2-5,12,15H2,1H3/p+1/t21-/m1/s1