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

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]-methyl-ammonium Formula: C24H42NO2+ MolecularWeight: 376.59578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H41NO2/c1-23(2,3)18-24(4,5)19-12-14-22(15-13-19)27-17-21(26)16-25(6)20-10-8-7-9-11-20/h12-15,20-21,26H,7-11,16-18H2,1-6H3/p+1/t21-/m0/s1