(5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)-ethanoyl-methyl-octadecyl-azanium

Systemtic Name: (5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)-ethanoyl-methyl-octadecyl-azanium Openeye Name: acetyl-(5-tert-butyl-4-hydroxy-2,3-dimethyl-phenyl)-methyl-octadecyl-ammonium CAS Name: acetyl-(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)-methyl-octadecylammonium IUPAC Name: acetyl-(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)-methyl-octadecylazanium Traditional Name: acetyl-(5-tert-butyl-4-hydroxy-2,3-dimethyl-phenyl)-methyl-stearyl-ammonium Formula: C33H60NO2+ MolecularWeight: 502.835

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C1=C(C(=C(C(=C1)C(C)(C)C)O)C)C)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C1=C(C(=C(C(=C1)C(C)(C)C)O)C)C)C(=O)C

InChI

InChI=1S/C33H59NO2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-34(8,29(4)35)31-26-30(33(5,6)7)32(36)28(3)27(31)2/h26H,9-25H2,1-8H3/p+1