(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-(hexadecoxymethyl)-dimethyl-azanium

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-(hexadecoxymethyl)-dimethyl-azanium Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)methyl-(hexadecoxymethyl)-dimethyl-ammonium CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl-(hexadecoxymethyl)-dimethylammonium IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl-(hexadecoxymethyl)-dimethylazanium Traditional Name: cetyloxymethyl-(3,5-ditert-butyl-4-hydroxy-benzyl)-dimethyl-ammonium Formula: C34H64NO2+ MolecularWeight: 518.87746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC[N+](C)(C)CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC[N+](C)(C)CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C34H63NO2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-37-28-35(8,9)27-29-25-30(33(2,3)4)32(36)31(26-29)34(5,6)7/h25-26H,10-24,27-28H2,1-9H3/p+1