(2S,4R)-4-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrrolidine-2-carboxylic acid bromide

Systemtic Name: (2S,4R)-4-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrrolidine-2-carboxylic acid bromide Openeye Name: (2S,4R)-4-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrrolidine-2-carboxylic acid bromide CAS Name: (2S,4R)-4-[2-(3-methyl-1-imidazol-3-iumyl)ethoxy]-2-pyrrolidinecarboxylic acid bromide IUPAC Name: (2S,4R)-4-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrrolidine-2-carboxylic acid bromide Traditional Name: (2S,4R)-4-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]proline bromide Formula: C11H18BrN3O3 MolecularWeight: 320.18292

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCOC2CC(NC2)C(=O)O.[Br-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCO[C@@H]2C[C@H](NC2)C(=O)O.[Br-]

InChI

InChI=1S/C11H17N3O3.BrH/c1-13-2-3-14(8-13)4-5-17-9-6-10(11(15)16)12-7-9;/h2-3,8-10,12H,4-7H2,1H3;1H/t9-,10+;/m1./s1