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

Systemtic Name: (1-ethyl-1-methyl-pyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-phenyl-ethanoate Openeye Name: (1-ethyl-1-methyl-pyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-phenylacetic acid (1-ethyl-1-methyl-3-pyrrolidin-1-iumyl) ester IUPAC Name: (1-ethyl-1-methylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-phenylacetate Traditional Name: 2-cyclohexyl-2-phenyl-acetic acid (1-ethyl-1-methyl-pyrrolidin-1-ium-3-yl) ester Formula: C21H32NO2+ MolecularWeight: 330.48428

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)C3=CC=CC=C3)C

Isomeric SMILES

CC[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H32NO2/c1-3-22(2)15-14-19(16-22)24-21(23)20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4,6-7,10-11,18-20H,3,5,8-9,12-16H2,1-2H3/q+1