(2R)-2-[[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]azepan-1-ium

Systemtic Name: (2R)-2-[[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]azepan-1-ium Openeye Name: (2R)-2-[[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]azepan-1-ium CAS Name: (2R)-2-[[(2S,6R)-2,6-dimethyl-1-piperidin-1-iumyl]methyl]azepan-1-ium IUPAC Name: (2R)-2-[[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]azepan-1-ium Traditional Name: (2R)-2-[[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]azepan-1-ium Formula: C14H30N2+2 MolecularWeight: 226.4014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC2CCCCC[NH2+]2)C

Isomeric SMILES

C[C@@H]1CCC[C@@H]([NH+]1C[C@H]2CCCCC[NH2+]2)C

InChI

InChI=1S/C14H28N2/c1-12-7-6-8-13(2)16(12)11-14-9-4-3-5-10-15-14/h12-15H,3-11H2,1-2H3/p+2/t12-,13+,14-/m1/s1