(5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)-methyl-propanoyl-tetracosyl-azanium

Systemtic Name: (5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)-methyl-propanoyl-tetracosyl-azanium Openeye Name: (5-tert-butyl-4-hydroxy-2,3-dimethyl-phenyl)-methyl-propanoyl-tetracosyl-ammonium CAS Name: (5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)-methyl-(1-oxopropyl)-tetracosylammonium IUPAC Name: (5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)-methyl-propanoyl-tetracosylazanium Traditional Name: (5-tert-butyl-4-hydroxy-2,3-dimethyl-phenyl)-lignoceryl-methyl-propionyl-ammonium Formula: C40H74NO2+ MolecularWeight: 601.02106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C1=C(C(=C(C(=C1)C(C)(C)C)O)C)C)C(=O)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C1=C(C(=C(C(=C1)C(C)(C)C)O)C)C)C(=O)CC

InChI

InChI=1S/C40H73NO2/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-41(8,38(42)10-2)37-33-36(40(5,6)7)39(43)35(4)34(37)3/h33H,9-32H2,1-8H3/p+1