(3R)-N-(4,6-dimethylpyrimidin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-amine

Systemtic Name: (3R)-N-(4,6-dimethylpyrimidin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-amine Openeye Name: (3R)-N-(4,6-dimethylpyrimidin-2-yl)quinuclidin-1-ium-3-amine CAS Name: (3R)-N-(4,6-dimethyl-2-pyrimidinyl)-1-azoniabicyclo[2.2.2]octan-3-amine IUPAC Name: (3R)-N-(4,6-dimethylpyrimidin-2-yl)-1-azoniabicyclo[2.2.2]octan-3-amine Traditional Name: (4,6-dimethylpyrimidin-2-yl)-[(3R)-quinuclidin-1-ium-3-yl]amine Formula: C13H21N4+ MolecularWeight: 233.33264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2C[NH+]3CCC2CC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)N[C@H]2C[NH+]3CCC2CC3)C

InChI

InChI=1S/C13H20N4/c1-9-7-10(2)15-13(14-9)16-12-8-17-5-3-11(12)4-6-17/h7,11-12H,3-6,8H2,1-2H3,(H,14,15,16)/p+1/t12-/m0/s1