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

Systemtic Name: (1-ethylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenyl-ethanoate chloride Openeye Name: (1-ethylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenyl-acetate chloride CAS Name: 2-ethoxy-2,2-diphenylacetic acid (1-ethyl-2-pyrrolidin-1-iumyl)methyl ester chloride IUPAC Name: (1-ethylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenylacetate chloride Traditional Name: 2-ethoxy-2,2-diphenyl-acetic acid (1-ethylpyrrolidin-1-ium-2-yl)methyl ester chloride Formula: C23H30ClNO3 MolecularWeight: 403.9422

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC.[Cl-]

Isomeric SMILES

CC[NH+]1CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC.[Cl-]

InChI

InChI=1S/C23H29NO3.ClH/c1-3-24-17-11-16-21(24)18-26-22(25)23(27-4-2,19-12-7-5-8-13-19)20-14-9-6-10-15-20;/h5-10,12-15,21H,3-4,11,16-18H2,1-2H3;1H