(1,1-dimethylpyrrolidin-1-ium-3-yl) 3-cyclopentyl-3-oxidanyl-3-phenyl-propanoate

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 3-cyclopentyl-3-oxidanyl-3-phenyl-propanoate Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 3-cyclopentyl-3-hydroxy-3-phenyl-propanoate CAS Name: 3-cyclopentyl-3-hydroxy-3-phenylpropanoic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 3-cyclopentyl-3-hydroxy-3-phenylpropanoate Traditional Name: 3-cyclopentyl-3-hydroxy-3-phenyl-propionic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester Formula: C20H30NO3+ MolecularWeight: 332.4571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30NO3/c1-21(2)13-12-18(15-21)24-19(22)14-20(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