4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-3-fluoro-benzonitrile CAS Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-3-fluorobenzonitrile Traditional Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-3-fluoro-benzonitrile Formula: C20H22FN2O2+ MolecularWeight: 341.399283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CC3=C(C=C(C=C3)C#N)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O2/c1-24-16-7-8-17(20(11-16)25-2)19-4-3-9-23(19)13-15-6-5-14(12-22)10-18(15)21/h5-8,10-11,19H,3-4,9,13H2,1-2H3/p+1/t19-/m1/s1