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

Systemtic Name: (2S)-1-(2,4-ditert-butylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(2,4-ditert-butylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2,4-ditert-butylphenoxy)-3-(4-ethyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(2,4-ditert-butylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(2,4-ditert-butylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Formula: C23H41N2O2+ MolecularWeight: 377.58384

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)O

InChI

InChI=1S/C23H40N2O2/c1-8-24-11-13-25(14-12-24)16-19(26)17-27-21-10-9-18(22(2,3)4)15-20(21)23(5,6)7/h9-10,15,19,26H,8,11-14,16-17H2,1-7H3/p+1/t19-/m0/s1