cyclohexyl-ethyl-[(2S)-2-oxidanyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]azanium

Systemtic Name: cyclohexyl-ethyl-[(2S)-2-oxidanyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]azanium Openeye Name: cyclohexyl-ethyl-[(2S)-2-hydroxy-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]ammonium CAS Name: cyclohexyl-ethyl-[(2S)-2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]ammonium IUPAC Name: cyclohexyl-ethyl-[(2S)-2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]azanium Traditional Name: cyclohexyl-ethyl-[(2S)-2-hydroxy-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]ammonium Formula: C25H44NO2+ MolecularWeight: 390.62236

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(COC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)O)C2CCCCC2

Isomeric SMILES

CC[NH+](C[C@@H](COC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)O)C2CCCCC2

InChI

InChI=1S/C25H43NO2/c1-7-26(21-11-9-8-10-12-21)17-22(27)18-28-23-15-13-20(14-16-23)25(5,6)19-24(2,3)4/h13-16,21-22,27H,7-12,17-19H2,1-6H3/p+1/t22-/m0/s1