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

Systemtic Name: (5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)-ethanoyl-octyl-phenyl-azanium Openeye Name: acetyl-(5-tert-butyl-4-hydroxy-2,3-dimethyl-phenyl)-octyl-phenyl-ammonium CAS Name: acetyl-(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)-octyl-phenylammonium IUPAC Name: acetyl-(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)-octyl-phenylazanium Traditional Name: acetyl-(5-tert-butyl-4-hydroxy-2,3-dimethyl-phenyl)-octyl-phenyl-ammonium Formula: C28H42NO2+ MolecularWeight: 424.63858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C1=CC=CC=C1)(C2=C(C(=C(C(=C2)C(C)(C)C)O)C)C)C(=O)C

Isomeric SMILES

CCCCCCCC[N+](C1=CC=CC=C1)(C2=C(C(=C(C(=C2)C(C)(C)C)O)C)C)C(=O)C

InChI

InChI=1S/C28H41NO2/c1-8-9-10-11-12-16-19-29(23(4)30,24-17-14-13-15-18-24)26-20-25(28(5,6)7)27(31)22(3)21(26)2/h13-15,17-18,20H,8-12,16,19H2,1-7H3/p+1