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

Systemtic Name: (2S,4R)-4-[2-(3-methylimidazol-3-ium-1-yl)ethanoyloxy]pyrrolidine-2-carboxylic acid tetrafluoroborate Openeye Name: (2S,4R)-4-[2-(3-methylimidazol-3-ium-1-yl)acetyl]oxypyrrolidine-2-carboxylic acid tetrafluoroborate CAS Name: (2S,4R)-4-[2-(3-methyl-1-imidazol-3-iumyl)-1-oxoethoxy]-2-pyrrolidinecarboxylic acid tetrafluoroborate IUPAC Name: (2S,4R)-4-[2-(3-methylimidazol-3-ium-1-yl)acetyl]oxypyrrolidine-2-carboxylic acid tetrafluoroborate Traditional Name: (2S,4R)-4-[2-(3-methylimidazol-3-ium-1-yl)acetyl]oxyproline tetrafluoroborate Formula: C11H16BF4N3O4 MolecularWeight: 341.067053

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=CN(C=C1)CC(=O)OC2CC(NC2)C(=O)O

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=CN(C=C1)CC(=O)O[C@@H]2C[C@H](NC2)C(=O)O

InChI

InChI=1S/C11H15N3O4.BF4/c1-13-2-3-14(7-13)6-10(15)18-8-4-9(11(16)17)12-5-8;2-1(3,4)5/h2-3,7-9,12H,4-6H2,1H3;/q;-1/p+1/t8-,9+;/m1./s1