(1-ethylpiperidin-1-ium-4-yl)methyl 2-ethoxy-2,2-diphenyl-ethanoate chloride

Systemtic Name: (1-ethylpiperidin-1-ium-4-yl)methyl 2-ethoxy-2,2-diphenyl-ethanoate chloride Openeye Name: (1-ethylpiperidin-1-ium-4-yl)methyl 2-ethoxy-2,2-diphenyl-acetate chloride CAS Name: 2-ethoxy-2,2-diphenylacetic acid (1-ethyl-4-piperidin-1-iumyl)methyl ester chloride IUPAC Name: (1-ethylpiperidin-1-ium-4-yl)methyl 2-ethoxy-2,2-diphenylacetate chloride Traditional Name: 2-ethoxy-2,2-diphenyl-acetic acid (1-ethylpiperidin-1-ium-4-yl)methyl ester chloride Formula: C24H32ClNO3 MolecularWeight: 417.96878

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC.[Cl-]

Isomeric SMILES

CC[NH+]1CCC(CC1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC.[Cl-]

InChI

InChI=1S/C24H31NO3.ClH/c1-3-25-17-15-20(16-18-25)19-27-23(26)24(28-4-2,21-11-7-5-8-12-21)22-13-9-6-10-14-22;/h5-14,20H,3-4,15-19H2,1-2H3;1H