(1-ethyl-1-methyl-pyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-phenyl-ethanoate

Systemtic Name: (1-ethyl-1-methyl-pyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-phenyl-ethanoate Openeye Name: (1-ethyl-1-methyl-pyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-phenylacetic acid (1-ethyl-1-methyl-3-pyrrolidin-1-iumyl) ester IUPAC Name: (1-ethyl-1-methylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-phenylacetate Traditional Name: 2-cyclopentyl-2-phenyl-acetic acid (1-ethyl-1-methyl-pyrrolidin-1-ium-3-yl) ester Formula: C20H30NO2+ MolecularWeight: 316.4577

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(C1)OC(=O)C(C2CCCC2)C3=CC=CC=C3)C

Isomeric SMILES

CC[N+]1(CCC(C1)OC(=O)C(C2CCCC2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H30NO2/c1-3-21(2)14-13-18(15-21)23-20(22)19(17-11-7-8-12-17)16-9-5-4-6-10-16/h4-6,9-10,17-19H,3,7-8,11-15H2,1-2H3/q+1