(3,4-dimethyl-2-phenyl-morpholin-4-ium-4-yl)methyl 2,2-dimethylpropanoate chloride

Systemtic Name: (3,4-dimethyl-2-phenyl-morpholin-4-ium-4-yl)methyl 2,2-dimethylpropanoate chloride Openeye Name: (3,4-dimethyl-2-phenyl-morpholin-4-ium-4-yl)methyl 2,2-dimethylpropanoate chloride CAS Name: 2,2-dimethylpropanoic acid (3,4-dimethyl-2-phenyl-4-morpholin-4-iumyl)methyl ester chloride IUPAC Name: (3,4-dimethyl-2-phenylmorpholin-4-ium-4-yl)methyl 2,2-dimethylpropanoate chloride Traditional Name: 2,2-dimethylpropionic acid (3,4-dimethyl-2-phenyl-morpholin-4-ium-4-yl)methyl ester chloride Formula: C18H28ClNO3 MolecularWeight: 341.87282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(OCC[N+]1(C)COC(=O)C(C)(C)C)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1C(OCC[N+]1(C)COC(=O)C(C)(C)C)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C18H28NO3.ClH/c1-14-16(15-9-7-6-8-10-15)21-12-11-19(14,5)13-22-17(20)18(2,3)4;/h6-10,14,16H,11-13H2,1-5H3;1H/q+1;/p-1