tert-butyl-[(2S)-3-(4-cyclohexyl-2-ethanoyl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: tert-butyl-[(2S)-3-(4-cyclohexyl-2-ethanoyl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(2-acetyl-4-cyclohexyl-phenoxy)-2-hydroxy-propyl]-tert-butyl-ammonium CAS Name: [(2S)-3-(2-acetyl-4-cyclohexylphenoxy)-2-hydroxypropyl]-tert-butylammonium IUPAC Name: [(2S)-3-(2-acetyl-4-cyclohexylphenoxy)-2-hydroxypropyl]-tert-butylazanium Traditional Name: [(2S)-3-(2-acetyl-4-cyclohexyl-phenoxy)-2-hydroxy-propyl]-tert-butyl-ammonium Formula: C21H34NO3+ MolecularWeight: 348.49956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO3/c1-15(23)19-12-17(16-8-6-5-7-9-16)10-11-20(19)25-14-18(24)13-22-21(2,3)4/h10-12,16,18,22,24H,5-9,13-14H2,1-4H3/p+1/t18-/m0/s1