(2S)-1-(2-tert-butylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(2-tert-butylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(2-tert-butylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2-tert-butylphenoxy)-3-(4-ethyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-tert-butylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(2-tert-butylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Formula: C19H33N2O2+ MolecularWeight: 321.47752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O2/c1-5-20-10-12-21(13-11-20)14-16(22)15-23-18-9-7-6-8-17(18)19(2,3)4/h6-9,16,22H,5,10-15H2,1-4H3/p+1/t16-/m0/s1