(2S)-1-(4-cyclohexylpiperazin-4-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-(4-cyclohexylpiperazin-4-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol Openeye Name: (2S)-1-(4-cyclohexylpiperazin-4-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol CAS Name: (2S)-1-(4-cyclohexyl-1-piperazin-4-iumyl)-3-(3-methylphenoxy)-2-propanol IUPAC Name: (2S)-1-(4-cyclohexylpiperazin-4-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-cyclohexylpiperazin-4-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol Formula: C20H33N2O2+ MolecularWeight: 333.48822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2CC[NH+](CC2)C3CCCCC3)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](CN2CC[NH+](CC2)C3CCCCC3)O

InChI

InChI=1S/C20H32N2O2/c1-17-6-5-9-20(14-17)24-16-19(23)15-21-10-12-22(13-11-21)18-7-3-2-4-8-18/h5-6,9,14,18-19,23H,2-4,7-8,10-13,15-16H2,1H3/p+1/t19-/m0/s1