(1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester Formula: C20H30NO3+ MolecularWeight: 332.4571

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C

InChI

InChI=1S/C20H30NO3/c1-21(2)14-12-18(13-15-21)24-19(22)20(23,17-10-6-7-11-17)16-8-4-3-5-9-16/h3-5,8-9,17-18,23H,6-7,10-15H2,1-2H3/q+1