2-[(5R,7R)-3-bromanyl-1-adamantyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[(5R,7R)-3-bromanyl-1-adamantyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[(5R,7R)-3-bromo-1-adamantyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[(5R,7R)-3-bromo-1-adamantyl]-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[(5R,7R)-3-bromo-1-adamantyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[(5R,7R)-3-bromo-1-adamantyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide Formula: C21H36BrN2O+ MolecularWeight: 412.42734

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)CC23C[C@H]4C[C@H](C2)CC(C4)(C3)Br)C

InChI

InChI=1S/C21H35BrN2O/c1-18(2)10-16(11-19(3,4)24-18)23-17(25)12-20-6-14-5-15(7-20)9-21(22,8-14)13-20/h14-16,24H,5-13H2,1-4H3,(H,23,25)/p+1/t14-,15-,20?,21?/m1/s1