[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-piperidin-1-ium-1-ylpropanoate

Systemtic Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-piperidin-1-ium-1-ylpropanoate Openeye Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-piperidin-1-ium-1-ylpropanoate CAS Name: 3-(1-piperidin-1-iumyl)propanoic acid [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-piperidin-1-ium-1-ylpropanoate Traditional Name: 3-piperidin-1-ium-1-ylpropionic acid [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C16H30N2O2+2 MolecularWeight: 282.4216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1CC(C2)OC(=O)CC[NH+]3CCCCC3

Isomeric SMILES

C[NH+]1[C@@H]2CC[C@H]1CC(C2)OC(=O)CC[NH+]3CCCCC3

InChI

InChI=1S/C16H28N2O2/c1-17-13-5-6-14(17)12-15(11-13)20-16(19)7-10-18-8-3-2-4-9-18/h13-15H,2-12H2,1H3/p+2/t13-,14+,15?