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

Systemtic Name: (2S)-1-(4-cyclohexylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-cyclohexylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-cyclohexylphenoxy)-3-(4-ethyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-cyclohexylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-cyclohexylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Formula: C21H35N2O2+ MolecularWeight: 347.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC=C(C=C2)C3CCCCC3)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=CC=C(C=C2)C3CCCCC3)O

InChI

InChI=1S/C21H34N2O2/c1-2-22-12-14-23(15-13-22)16-20(24)17-25-21-10-8-19(9-11-21)18-6-4-3-5-7-18/h8-11,18,20,24H,2-7,12-17H2,1H3/p+1/t20-/m0/s1