ethyl (3S,4S)-1-methyl-1-azoniabicyclo[2.2.1]heptane-3-carboxylate bromide

Systemtic Name: ethyl (3S,4S)-1-methyl-1-azoniabicyclo[2.2.1]heptane-3-carboxylate bromide Openeye Name: ethyl (3S,4S)-1-methyl-1-azoniabicyclo[2.2.1]heptane-3-carboxylate bromide CAS Name: (3S,4S)-1-methyl-1-azoniabicyclo[2.2.1]heptane-3-carboxylic acid ethyl ester bromide IUPAC Name: ethyl (3S,4S)-1-methyl-1-azoniabicyclo[2.2.1]heptane-3-carboxylate bromide Traditional Name: (3S,4S)-1-methyl-1-azoniabicyclo[2.2.1]heptane-3-carboxylic acid ethyl ester bromide Formula: C10H18BrNO2 MolecularWeight: 264.15942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C[N+]2(CCC1C2)C.[Br-]

Isomeric SMILES

CCOC(=O)[C@@H]1C[N+]2(CC[C@@H]1C2)C.[Br-]

InChI

InChI=1S/C10H18NO2.BrH/c1-3-13-10(12)9-7-11(2)5-4-8(9)6-11;/h8-9H,3-7H2,1-2H3;1H/q+1;/p-1/t8-,9-,11?;/m1./s1