cyclohexyl-[(2S)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]-[(2-hydroxyphenyl)methyl]azanium

Systemtic Name: cyclohexyl-[(2S)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]-[(2-hydroxyphenyl)methyl]azanium Openeye Name: cyclohexyl-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-[(2-hydroxyphenyl)methyl]ammonium CAS Name: cyclohexyl-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-[(2-hydroxyphenyl)methyl]ammonium IUPAC Name: cyclohexyl-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-[(2-hydroxyphenyl)methyl]azanium Traditional Name: cyclohexyl-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-salicyl-ammonium Formula: C24H34NO3+ MolecularWeight: 384.53166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(C[NH+](CC2=CC=CC=C2O)C3CCCCC3)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC[C@H](C[NH+](CC2=CC=CC=C2O)C3CCCCC3)O

InChI

InChI=1S/C24H33NO3/c1-18-9-8-10-19(2)24(18)28-17-22(26)16-25(21-12-4-3-5-13-21)15-20-11-6-7-14-23(20)27/h6-11,14,21-22,26-27H,3-5,12-13,15-17H2,1-2H3/p+1/t22-/m0/s1