cyclohexyl-ethyl-[(2S)-3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: cyclohexyl-ethyl-[(2S)-3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-ethyl-[(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]ammonium CAS Name: cyclohexyl-ethyl-[(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]ammonium IUPAC Name: cyclohexyl-ethyl-[(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium Traditional Name: cyclohexyl-ethyl-[(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]ammonium Formula: C21H36NO2+ MolecularWeight: 334.51604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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