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

Systemtic Name: 8-(4-phenylmethoxyphenoxy)octyl 3-phenyl-2-(1-propylpyrrolidin-1-ium-1-yl)propanoate Openeye Name: 8-(4-benzyloxyphenoxy)octyl 3-phenyl-2-(1-propylpyrrolidin-1-ium-1-yl)propanoate CAS Name: 3-phenyl-2-(1-propyl-1-pyrrolidin-1-iumyl)propanoic acid 8-(4-phenylmethoxyphenoxy)octyl ester IUPAC Name: 8-(4-phenylmethoxyphenoxy)octyl 3-phenyl-2-(1-propylpyrrolidin-1-ium-1-yl)propanoate Traditional Name: 3-phenyl-2-(1-propylpyrrolidin-1-ium-1-yl)propionic acid 8-(4-benzoxyphenoxy)octyl ester Formula: C37H50NO4+ MolecularWeight: 572.7972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H50NO4/c1-2-25-38(26-13-14-27-38)36(30-32-17-9-7-10-18-32)37(39)41-29-16-6-4-3-5-15-28-40-34-21-23-35(24-22-34)42-31-33-19-11-8-12-20-33/h7-12,17-24,36H,2-6,13-16,25-31H2,1H3/q+1