(1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) adamantane-1-carboxylate

Systemtic Name: (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) adamantane-1-carboxylate Openeye Name: (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (1,2,2,6,6-pentamethyl-1-piperidin-1-iumyl) ester IUPAC Name: (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) ester Formula: C21H36NO2+ MolecularWeight: 334.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC([N+]1(C)OC(=O)C23CC4CC(C2)CC(C4)C3)(C)C)C

Isomeric SMILES

CC1(CCCC([N+]1(C)OC(=O)C23CC4CC(C2)CC(C4)C3)(C)C)C

InChI

InChI=1S/C21H36NO2/c1-19(2)7-6-8-20(3,4)22(19,5)24-18(23)21-12-15-9-16(13-21)11-17(10-15)14-21/h15-17H,6-14H2,1-5H3/q+1