8-(4-phenylmethoxyphenoxy)octyl 2-(1-ethylpyrrolidin-1-ium-1-yl)-3-phenyl-propanoate

Systemtic Name: 8-(4-phenylmethoxyphenoxy)octyl 2-(1-ethylpyrrolidin-1-ium-1-yl)-3-phenyl-propanoate Openeye Name: 8-(4-benzyloxyphenoxy)octyl 2-(1-ethylpyrrolidin-1-ium-1-yl)-3-phenyl-propanoate CAS Name: 2-(1-ethyl-1-pyrrolidin-1-iumyl)-3-phenylpropanoic acid 8-(4-phenylmethoxyphenoxy)octyl ester IUPAC Name: 8-(4-phenylmethoxyphenoxy)octyl 2-(1-ethylpyrrolidin-1-ium-1-yl)-3-phenylpropanoate Traditional Name: 2-(1-ethylpyrrolidin-1-ium-1-yl)-3-phenyl-propionic acid 8-(4-benzoxyphenoxy)octyl ester Formula: C36H48NO4+ MolecularWeight: 558.77062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC1)C(CC2=CC=CC=C2)C(=O)OCCCCCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC[N+]1(CCCC1)C(CC2=CC=CC=C2)C(=O)OCCCCCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C36H48NO4/c1-2-37(25-13-14-26-37)35(29-31-17-9-7-10-18-31)36(38)40-28-16-6-4-3-5-15-27-39-33-21-23-34(24-22-33)41-30-32-19-11-8-12-20-32/h7-12,17-24,35H,2-6,13-16,25-30H2,1H3/q+1