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

Systemtic Name: 3-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 4-fluoro-3-[[(2R)-2-p-phenetylpyrrolidin-1-ium-1-yl]methyl]benzonitrile Formula: C20H22FN2O+ MolecularWeight: 325.399883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCC[NH+]2CC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCC[NH+]2CC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C20H21FN2O/c1-2-24-18-8-6-16(7-9-18)20-4-3-11-23(20)14-17-12-15(13-22)5-10-19(17)21/h5-10,12,20H,2-4,11,14H2,1H3/p+1/t20-/m1/s1