(1S,2S,3S)-2-(bromomethyl)-3-(dimethylcarbamoyl)-1,2-dimethyl-cyclopentane-1-carboxylate

Systemtic Name: (1S,2S,3S)-2-(bromomethyl)-3-(dimethylcarbamoyl)-1,2-dimethyl-cyclopentane-1-carboxylate Openeye Name: (1S,2S,3S)-2-(bromomethyl)-3-(dimethylcarbamoyl)-1,2-dimethyl-cyclopentanecarboxylate CAS Name: (1S,2S,3S)-2-(bromomethyl)-3-[dimethylamino(oxo)methyl]-1,2-dimethyl-1-cyclopentanecarboxylate IUPAC Name: (1S,2S,3S)-2-(bromomethyl)-3-(dimethylcarbamoyl)-1,2-dimethylcyclopentane-1-carboxylate Traditional Name: (1S,2S,3S)-2-(bromomethyl)-3-(dimethylcarbamoyl)-1,2-dimethyl-cyclopentanecarboxylate Formula: C12H19BrNO3- MolecularWeight: 305.18816

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C1(C)CBr)C(=O)N(C)C)C(=O)[O-]

Isomeric SMILES

C[C@@]1(CC[C@@H]([C@]1(C)CBr)C(=O)N(C)C)C(=O)[O-]

InChI

InChI=1S/C12H20BrNO3/c1-11(10(16)17)6-5-8(9(15)14(3)4)12(11,2)7-13/h8H,5-7H2,1-4H3,(H,16,17)/p-1/t8-,11-,12+/m1/s1