(2,2-dimethyl-3-morpholin-4-ium-4-yl-propyl) 2-cyclohexyl-2-phenyl-ethanoate chloride

Systemtic Name: (2,2-dimethyl-3-morpholin-4-ium-4-yl-propyl) 2-cyclohexyl-2-phenyl-ethanoate chloride Openeye Name: (2,2-dimethyl-3-morpholin-4-ium-4-yl-propyl) 2-cyclohexyl-2-phenyl-acetate chloride CAS Name: 2-cyclohexyl-2-phenylacetic acid [2,2-dimethyl-3-(4-morpholin-4-iumyl)propyl] ester chloride IUPAC Name: (2,2-dimethyl-3-morpholin-4-ium-4-ylpropyl) 2-cyclohexyl-2-phenylacetate chloride Traditional Name: 2-cyclohexyl-2-phenyl-acetic acid (2,2-dimethyl-3-morpholin-4-ium-4-yl-propyl) ester chloride Formula: C23H36ClNO3 MolecularWeight: 409.98984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCOCC1)COC(=O)C(C2CCCCC2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(C)(C[NH+]1CCOCC1)COC(=O)C(C2CCCCC2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H35NO3.ClH/c1-23(2,17-24-13-15-26-16-14-24)18-27-22(25)21(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3,5-6,9-10,20-21H,4,7-8,11-18H2,1-2H3;1H