2-(2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoyl)oxyethyl-dimethyl-(2-propylpentanoyloxymethyl)azanium chloride

Systemtic Name: 2-(2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoyl)oxyethyl-dimethyl-(2-propylpentanoyloxymethyl)azanium chloride Openeye Name: 2-(2-cyclopentyl-2-hydroxy-2-phenyl-acetyl)oxyethyl-dimethyl-(2-propylpentanoyloxymethyl)ammonium chloride CAS Name: 2-(2-cyclopentyl-2-hydroxy-1-oxo-2-phenylethoxy)ethyl-dimethyl-[(1-oxo-2-propylpentoxy)methyl]ammonium chloride IUPAC Name: 2-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxyethyl-dimethyl-(2-propylpentanoyloxymethyl)azanium chloride Traditional Name: 2-(2-cyclopentyl-2-hydroxy-2-phenyl-acetyl)oxyethyl-dimethyl-(2-propylpentanoyloxymethyl)ammonium chloride Formula: C26H42ClNO5 MolecularWeight: 484.06838

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)OC[N+](C)(C)CCOC(=O)C(C1CCCC1)(C2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

CCCC(CCC)C(=O)OC[N+](C)(C)CCOC(=O)C(C1CCCC1)(C2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C26H42NO5.ClH/c1-5-12-21(13-6-2)24(28)32-20-27(3,4)18-19-31-25(29)26(30,23-16-10-11-17-23)22-14-8-7-9-15-22;/h7-9,14-15,21,23,30H,5-6,10-13,16-20H2,1-4H3;1H/q+1;/p-1