trimethyl-[2-[phenylmethoxycarbonyl(phenylmethoxycarbonylcarbamoyl)amino]ethyl]azanium iodide

Systemtic Name: trimethyl-[2-[phenylmethoxycarbonyl(phenylmethoxycarbonylcarbamoyl)amino]ethyl]azanium iodide Openeye Name: 2-[benzyloxycarbonyl(benzyloxycarbonylcarbamoyl)amino]ethyl-trimethyl-ammonium iodide CAS Name: trimethyl-[2-[[oxo(phenylmethoxycarbonylamino)methyl]-phenylmethoxycarbonylamino]ethyl]ammonium iodide IUPAC Name: trimethyl-[2-[phenylmethoxycarbonyl(phenylmethoxycarbonylcarbamoyl)amino]ethyl]azanium iodide Traditional Name: 2-[carbobenzoxy(carbobenzoxycarbamoyl)amino]ethyl-trimethyl-ammonium iodide Formula: C22H28IN3O5 MolecularWeight: 541.37929

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCN(C(=O)NC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+](C)(C)CCN(C(=O)NC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2.[I-]

InChI

InChI=1S/C22H27N3O5.HI/c1-25(2,3)15-14-24(22(28)30-17-19-12-8-5-9-13-19)20(26)23-21(27)29-16-18-10-6-4-7-11-18;/h4-13H,14-17H2,1-3H3;1H