ethyl (3R)-1-(2-adamantyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-(2-adamantyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-(2-adamantyl)piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-(2-adamantyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(2-adamantyl)piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(2-adamantyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H30NO2+ MolecularWeight: 292.4363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C18H29NO2/c1-2-21-18(20)14-4-3-5-19(11-14)17-15-7-12-6-13(9-15)10-16(17)8-12/h12-17H,2-11H2,1H3/p+1/t12?,13?,14-,15?,16?,17?/m1/s1