(1,2-dimethylpyrrolidin-1-ium-1-yl)methyl 2-cyclopentyl-2-phenyl-ethanoate chloride

Systemtic Name: (1,2-dimethylpyrrolidin-1-ium-1-yl)methyl 2-cyclopentyl-2-phenyl-ethanoate chloride Openeye Name: (1,2-dimethylpyrrolidin-1-ium-1-yl)methyl 2-cyclopentyl-2-phenyl-acetate chloride CAS Name: 2-cyclopentyl-2-phenylacetic acid (1,2-dimethyl-1-pyrrolidin-1-iumyl)methyl ester chloride IUPAC Name: (1,2-dimethylpyrrolidin-1-ium-1-yl)methyl 2-cyclopentyl-2-phenylacetate chloride Traditional Name: 2-cyclopentyl-2-phenyl-acetic acid (1,2-dimethylpyrrolidin-1-ium-1-yl)methyl ester chloride Formula: C20H30ClNO2 MolecularWeight: 351.9107

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[N+]1(C)COC(=O)C(C2CCCC2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1CCC[N+]1(C)COC(=O)C(C2CCCC2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H30NO2.ClH/c1-16-9-8-14-21(16,2)15-23-20(22)19(18-12-6-7-13-18)17-10-4-3-5-11-17;/h3-5,10-11,16,18-19H,6-9,12-15H2,1-2H3;1H/q+1;/p-1