(1-ethylpyrrolidin-1-ium-3-yl)methyl 2-methoxy-2,2-diphenyl-ethanoate chloride

Systemtic Name: (1-ethylpyrrolidin-1-ium-3-yl)methyl 2-methoxy-2,2-diphenyl-ethanoate chloride Openeye Name: (1-ethylpyrrolidin-1-ium-3-yl)methyl 2-methoxy-2,2-diphenyl-acetate chloride CAS Name: 2-methoxy-2,2-diphenylacetic acid (1-ethyl-3-pyrrolidin-1-iumyl)methyl ester chloride IUPAC Name: (1-ethylpyrrolidin-1-ium-3-yl)methyl 2-methoxy-2,2-diphenylacetate chloride Traditional Name: 2-methoxy-2,2-diphenyl-acetic acid (1-ethylpyrrolidin-1-ium-3-yl)methyl ester chloride Formula: C22H28ClNO3 MolecularWeight: 389.91562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC.[Cl-]

Isomeric SMILES

CC[NH+]1CCC(C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC.[Cl-]

InChI

InChI=1S/C22H27NO3.ClH/c1-3-23-15-14-18(16-23)17-26-21(24)22(25-2,19-10-6-4-7-11-19)20-12-8-5-9-13-20;/h4-13,18H,3,14-17H2,1-2H3;1H