(2S)-2-(2-bromanylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: (2S)-2-(2-bromanylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide Openeye Name: (2S)-2-(2-bromophenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide CAS Name: (2S)-2-(2-bromophenoxy)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-2-(2-bromophenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide Traditional Name: (2S)-2-(2-bromophenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propionamide Formula: C18H28BrN2O2+ MolecularWeight: 384.33112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC([NH2+]C(C1)(C)C)(C)C)OC2=CC=CC=C2Br

Isomeric SMILES

C[C@@H](C(=O)NC1CC([NH2+]C(C1)(C)C)(C)C)OC2=CC=CC=C2Br

InChI

InChI=1S/C18H27BrN2O2/c1-12(23-15-9-7-6-8-14(15)19)16(22)20-13-10-17(2,3)21-18(4,5)11-13/h6-9,12-13,21H,10-11H2,1-5H3,(H,20,22)/p+1/t12-/m0/s1