(1,1-dimethylpyrrolidin-1-ium-2-yl) 2-(3-cyclopentyl-2-oxidanyl-phenyl)ethanoate

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-2-yl) 2-(3-cyclopentyl-2-oxidanyl-phenyl)ethanoate Openeye Name: (1,1-dimethylpyrrolidin-1-ium-2-yl) 2-(3-cyclopentyl-2-hydroxy-phenyl)acetate CAS Name: 2-(3-cyclopentyl-2-hydroxyphenyl)acetic acid (1,1-dimethyl-2-pyrrolidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-2-yl) 2-(3-cyclopentyl-2-hydroxyphenyl)acetate Traditional Name: 2-(3-cyclopentyl-2-hydroxy-phenyl)acetic acid (1,1-dimethylpyrrolidin-1-ium-2-yl) ester Formula: C19H28NO3+ MolecularWeight: 318.43052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1OC(=O)CC2=CC=CC(=C2O)C3CCCC3)C

Isomeric SMILES

C[N+]1(CCCC1OC(=O)CC2=CC=CC(=C2O)C3CCCC3)C

InChI

InChI=1S/C19H27NO3/c1-20(2)12-6-11-17(20)23-18(21)13-15-9-5-10-16(19(15)22)14-7-3-4-8-14/h5,9-10,14,17H,3-4,6-8,11-13H2,1-2H3/p+1