N-[[3-(1-adamantyl)-5-tert-butyl-2-oxidanyl-phenyl]methyl]-N-ethyl-ethanamine oxide

Systemtic Name: N-[[3-(1-adamantyl)-5-tert-butyl-2-oxidanyl-phenyl]methyl]-N-ethyl-ethanamine oxide Openeye Name: N-[[3-(1-adamantyl)-5-tert-butyl-2-hydroxy-phenyl]methyl]-N-ethyl-ethanamine oxide CAS Name: N-[[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]methyl]-N-ethylethanamine oxide IUPAC Name: N-[[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]methyl]-N-ethylethanamine oxide Traditional Name: N-[3-(1-adamantyl)-5-tert-butyl-2-hydroxy-benzyl]-N-ethyl-ethanamine oxide Formula: C25H39NO2 MolecularWeight: 385.58266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC1=C(C(=CC(=C1)C(C)(C)C)C23CC4CC(C2)CC(C4)C3)O)[O-]

Isomeric SMILES

CC[N+](CC)(CC1=C(C(=CC(=C1)C(C)(C)C)C23CC4CC(C2)CC(C4)C3)O)[O-]

InChI

InChI=1S/C25H39NO2/c1-6-26(28,7-2)16-20-11-21(24(3,4)5)12-22(23(20)27)25-13-17-8-18(14-25)10-19(9-17)15-25/h11-12,17-19,27H,6-10,13-16H2,1-5H3