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

Systemtic Name: cyclohexyl-methyl-[(2S)-3-[4-(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-[(2S)-3-[4-(1,1-dimethylpropyl)phenoxy]-2-hydroxy-propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-methylazanium Traditional Name: [(2S)-3-(4-tert-amylphenoxy)-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium Formula: C21H36NO2+ MolecularWeight: 334.51604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO2/c1-5-21(2,3)17-11-13-20(14-12-17)24-16-19(23)15-22(4)18-9-7-6-8-10-18/h11-14,18-19,23H,5-10,15-16H2,1-4H3/p+1/t19-/m0/s1