O1-(1,1-dimethylpyrrolidin-1-ium-3-yl) O3-methyl 2-cyclopentyl-2-phenyl-propanedioate

Systemtic Name: O1-(1,1-dimethylpyrrolidin-1-ium-3-yl) O3-methyl 2-cyclopentyl-2-phenyl-propanedioate Openeye Name: O1-(1,1-dimethylpyrrolidin-1-ium-3-yl) O3-methyl 2-cyclopentyl-2-phenyl-propanedioate CAS Name: 2-cyclopentyl-2-phenylpropanedioic acid O1-(1,1-dimethyl-3-pyrrolidin-1-iumyl) ester O3-methyl ester IUPAC Name: 1-O-(1,1-dimethylpyrrolidin-1-ium-3-yl) 3-O-methyl 2-cyclopentyl-2-phenylpropanedioate Traditional Name: 2-cyclopentyl-2-phenyl-malonic acid O1-(1,1-dimethylpyrrolidin-1-ium-3-yl) ester O3-methyl ester Formula: C21H30NO4+ MolecularWeight: 360.4672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30NO4/c1-22(2)14-13-18(15-22)26-20(24)21(19(23)25-3,17-11-7-8-12-17)16-9-5-4-6-10-16/h4-6,9-10,17-18H,7-8,11-15H2,1-3H3/q+1