(2R)-2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-yl-acetonitrile CAS Name: (2R)-2-(3,4-dimethoxyphenyl)-2-(1-pyrrolidin-1-iumyl)acetonitrile IUPAC Name: (2R)-2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-ylacetonitrile Traditional Name: (2R)-2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-yl-acetonitrile Formula: C14H19N2O2+ MolecularWeight: 247.31286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)[NH+]2CCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](C#N)[NH+]2CCCC2)OC

InChI

InChI=1S/C14H18N2O2/c1-17-13-6-5-11(9-14(13)18-2)12(10-15)16-7-3-4-8-16/h5-6,9,12H,3-4,7-8H2,1-2H3/p+1/t12-/m0/s1