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

Systemtic Name: cyclohexyl-[(2R)-2-oxidanyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2R)-2-hydroxy-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]ammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]azanium Traditional Name: cyclohexyl-[(2R)-2-hydroxy-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]ammonium Formula: C23H40NO2+ MolecularWeight: 362.5692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC(C[NH2+]C2CCCCC2)O

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC[C@@H](C[NH2+]C2CCCCC2)O

InChI

InChI=1S/C23H39NO2/c1-22(2,3)17-23(4,5)18-11-13-21(14-12-18)26-16-20(25)15-24-19-9-7-6-8-10-19/h11-14,19-20,24-25H,6-10,15-17H2,1-5H3/p+1/t20-/m1/s1