8-(3-phenylmethoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 8-(3-phenylmethoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 8-(3-benzyloxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(3-phenylmethoxyphenoxy)octyl ester IUPAC Name: 8-(3-phenylmethoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(3-benzoxyphenoxy)octyl ester Formula: C28H34NO4+ MolecularWeight: 448.57386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=CC(=C2)OCC3=CC=CC=C3

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C28H34NO4/c1-29-18-12-15-25(22-29)28(30)32-20-10-5-3-2-4-9-19-31-26-16-11-17-27(21-26)33-23-24-13-7-6-8-14-24/h6-8,11-18,21-22H,2-5,9-10,19-20,23H2,1H3/q+1