[6-[[(2S)-pyrrolidin-1-ium-2-yl]carbonyloxymethyl]pyridin-2-yl]methyl (2S)-pyrrolidin-1-ium-2-carboxylate dibromide

Systemtic Name: [6-[[(2S)-pyrrolidin-1-ium-2-yl]carbonyloxymethyl]pyridin-2-yl]methyl (2S)-pyrrolidin-1-ium-2-carboxylate dibromide Openeye Name: [6-[[(2S)-pyrrolidin-1-ium-2-carbonyl]oxymethyl]-2-pyridyl]methyl (2S)-pyrrolidin-1-ium-2-carboxylate dibromide CAS Name: (2S)-2-pyrrolidin-1-iumcarboxylic acid [6-[[oxo-[(2S)-2-pyrrolidin-1-iumyl]methoxy]methyl]-2-pyridinyl]methyl ester dibromide IUPAC Name: [6-[[(2S)-pyrrolidin-1-ium-2-carbonyl]oxymethyl]pyridin-2-yl]methyl (2S)-pyrrolidin-1-ium-2-carboxylate dibromide Traditional Name: (2S)-pyrrolidin-1-ium-2-carboxylic acid [6-[[(2S)-pyrrolidin-1-ium-2-carbonyl]oxymethyl]-2-pyridyl]methyl ester dibromide Formula: C17H25Br2N3O4 MolecularWeight: 495.2061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)OCC2=NC(=CC=C2)COC(=O)C3CCC[NH2+]3.[Br-].[Br-]

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)OCC2=NC(=CC=C2)COC(=O)[C@@H]3CCC[NH2+]3.[Br-].[Br-]

InChI

InChI=1S/C17H23N3O4.2BrH/c21-16(14-6-2-8-18-14)23-10-12-4-1-5-13(20-12)11-24-17(22)15-7-3-9-19-15;;/h1,4-5,14-15,18-19H,2-3,6-11H2;2*1H/t14-,15-;;/m0../s1