2-[4-(hexadecoxymethyl)morpholin-4-ium-4-yl]ethyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: 2-[4-(hexadecoxymethyl)morpholin-4-ium-4-yl]ethyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: 2-[4-(hexadecoxymethyl)morpholin-4-ium-4-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid 2-[4-(hexadecoxymethyl)-4-morpholin-4-iumyl]ethyl ester IUPAC Name: 2-[4-(hexadecoxymethyl)morpholin-4-ium-4-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid 2-[4-(cetyloxymethyl)morpholin-4-ium-4-yl]ethyl ester Formula: C40H72NO5+ MolecularWeight: 647.00338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC[N+]1(CCOCC1)CCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC[N+]1(CCOCC1)CCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C40H71NO5/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-45-33-41(24-28-44-29-25-41)26-30-46-37(42)23-22-34-31-35(39(2,3)4)38(43)36(32-34)40(5,6)7/h31-32H,8-30,33H2,1-7H3/p+1