(2S)-1-(2,4-ditert-butylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(2,4-ditert-butylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(2,4-ditert-butylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2,4-ditert-butylphenoxy)-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(2,4-ditert-butylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(2,4-ditert-butylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C22H39N2O2+ MolecularWeight: 363.55726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N2O2/c1-21(2,3)17-8-9-20(19(14-17)22(4,5)6)26-16-18(25)15-24-12-10-23(7)11-13-24/h8-9,14,18,25H,10-13,15-16H2,1-7H3/p+1/t18-/m0/s1