cyclohexyl-ethyl-[(2R)-3-[2-methyl-4-(4-methylphenyl)phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: cyclohexyl-ethyl-[(2R)-3-[2-methyl-4-(4-methylphenyl)phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-ethyl-[(2R)-2-hydroxy-3-[2-methyl-4-(p-tolyl)phenoxy]propyl]ammonium CAS Name: cyclohexyl-ethyl-[(2R)-2-hydroxy-3-[2-methyl-4-(4-methylphenyl)phenoxy]propyl]ammonium IUPAC Name: cyclohexyl-ethyl-[(2R)-2-hydroxy-3-[2-methyl-4-(4-methylphenyl)phenoxy]propyl]azanium Traditional Name: cyclohexyl-ethyl-[(2R)-2-hydroxy-3-[2-methyl-4-(p-tolyl)phenoxy]propyl]ammonium Formula: C25H36NO2+ MolecularWeight: 382.55884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(COC1=C(C=C(C=C1)C2=CC=C(C=C2)C)C)O)C3CCCCC3

Isomeric SMILES

CC[NH+](C[C@H](COC1=C(C=C(C=C1)C2=CC=C(C=C2)C)C)O)C3CCCCC3

InChI

InChI=1S/C25H35NO2/c1-4-26(23-8-6-5-7-9-23)17-24(27)18-28-25-15-14-22(16-20(25)3)21-12-10-19(2)11-13-21/h10-16,23-24,27H,4-9,17-18H2,1-3H3/p+1/t24-/m1/s1