(2R)-2-pyrrolidin-1-ium-1-yl-2-(3,4,5-trimethoxyphenyl)ethanenitrile

Systemtic Name: (2R)-2-pyrrolidin-1-ium-1-yl-2-(3,4,5-trimethoxyphenyl)ethanenitrile Openeye Name: (2R)-2-pyrrolidin-1-ium-1-yl-2-(3,4,5-trimethoxyphenyl)acetonitrile CAS Name: (2R)-2-(1-pyrrolidin-1-iumyl)-2-(3,4,5-trimethoxyphenyl)acetonitrile IUPAC Name: (2R)-2-pyrrolidin-1-ium-1-yl-2-(3,4,5-trimethoxyphenyl)acetonitrile Traditional Name: (2R)-2-pyrrolidin-1-ium-1-yl-2-(3,4,5-trimethoxyphenyl)acetonitrile Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C#N)[NH+]2CCCC2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H](C#N)[NH+]2CCCC2

InChI

InChI=1S/C15H20N2O3/c1-18-13-8-11(9-14(19-2)15(13)20-3)12(10-16)17-6-4-5-7-17/h8-9,12H,4-7H2,1-3H3/p+1/t12-/m0/s1