(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-3-(2,3,5-trimethylphenoxy)-2-propanol IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol Formula: C18H31N2O2+ MolecularWeight: 307.45094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC(=CC(=C2C)C)C)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=CC(=CC(=C2C)C)C)O

InChI

InChI=1S/C18H30N2O2/c1-5-19-6-8-20(9-7-19)12-17(21)13-22-18-11-14(2)10-15(3)16(18)4/h10-11,17,21H,5-9,12-13H2,1-4H3/p+1/t17-/m0/s1