(3R)-N-(5-methylpyridin-1-ium-2-yl)-1-azoniabicyclo[2.2.2]octan-3-amine

Systemtic Name: (3R)-N-(5-methylpyridin-1-ium-2-yl)-1-azoniabicyclo[2.2.2]octan-3-amine Openeye Name: (3R)-N-(5-methylpyridin-1-ium-2-yl)quinuclidin-1-ium-3-amine CAS Name: (3R)-N-(5-methyl-2-pyridin-1-iumyl)-1-azoniabicyclo[2.2.2]octan-3-amine IUPAC Name: (3R)-N-(5-methylpyridin-1-ium-2-yl)-1-azoniabicyclo[2.2.2]octan-3-amine Traditional Name: (5-methylpyridin-1-ium-2-yl)-[(3R)-quinuclidin-1-ium-3-yl]amine Formula: C13H21N3+2 MolecularWeight: 219.32594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)NC2C[NH+]3CCC2CC3

Isomeric SMILES

CC1=C[NH+]=C(C=C1)N[C@H]2C[NH+]3CCC2CC3

InChI

InChI=1S/C13H19N3/c1-10-2-3-13(14-8-10)15-12-9-16-6-4-11(12)5-7-16/h2-3,8,11-12H,4-7,9H2,1H3,(H,14,15)/p+2/t12-/m0/s1