(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate; dodecyl hydrogen sulfate

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate; dodecyl hydrogen sulfate Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate; dodecyl hydrogen sulfate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester; sulfuric acid dodecyl ester IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate; dodecyl hydrogen sulfate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester; sulfuric acid lauryl ester Formula: C31H54NO7S+ MolecularWeight: 584.82796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28NO3.C12H26O4S/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;2-12H2,1H3,(H,13,14,15)/q+1;