trimethyl-[2-[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonyloxyethyl]azanium iodide

Systemtic Name: trimethyl-[2-[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonyloxyethyl]azanium iodide Openeye Name: 2-[(2S)-1-benzyloxycarbonylpyrrolidine-2-carbonyl]oxyethyl-trimethyl-ammonium iodide CAS Name: trimethyl-[2-[oxo-[(2S)-1-phenylmethoxycarbonyl-2-pyrrolidinyl]methoxy]ethyl]ammonium iodide IUPAC Name: trimethyl-[2-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]oxyethyl]azanium iodide Traditional Name: 2-[(2S)-1-carbobenzoxyprolyl]oxyethyl-trimethyl-ammonium iodide Formula: C18H27IN2O4 MolecularWeight: 462.32245

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+](C)(C)CCOC(=O)[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2.[I-]

InChI

InChI=1S/C18H27N2O4.HI/c1-20(2,3)12-13-23-17(21)16-10-7-11-19(16)18(22)24-14-15-8-5-4-6-9-15;/h4-6,8-9,16H,7,10-14H2,1-3H3;1H/q+1;/p-1/t16-;/m0./s1