3-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxypropyl-triethyl-azanium chloride

Systemtic Name: 3-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxypropyl-triethyl-azanium chloride Openeye Name: 3-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxypropyl-triethyl-ammonium chloride CAS Name: 3-(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy)propyl-triethylammonium chloride IUPAC Name: 3-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxypropyl-triethylazanium chloride Traditional Name: 3-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxypropyl-triethyl-ammonium chloride Formula: C23H38ClNO3 MolecularWeight: 412.00572

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

CC[N+](CC)(CC)CCCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C23H38NO3.ClH/c1-4-24(5-2,6-3)18-13-19-27-22(25)23(26,20-14-9-7-10-15-20)21-16-11-8-12-17-21;/h7,9-10,14-15,21,26H,4-6,8,11-13,16-19H2,1-3H3;1H/q+1;/p-1