2-[(2S)-1-(2,2-dimethylpropyl)-4-[(3-methylsulfanylphenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(3-methylsulfanylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(3-methylsulfanylphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[[3-(methylthio)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(3-methylsulfanylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[3-(methylthio)benzyl]-1-neopentyl-piperazin-1-ium-2-yl]ethanol Formula: C19H33N2OS+ MolecularWeight: 337.54312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCN(CC1CCO)CC2=CC(=CC=C2)SC

Isomeric SMILES

CC(C)(C)C[NH+]1CCN(C[C@@H]1CCO)CC2=CC(=CC=C2)SC

InChI

InChI=1S/C19H32N2OS/c1-19(2,3)15-21-10-9-20(14-17(21)8-11-22)13-16-6-5-7-18(12-16)23-4/h5-7,12,17,22H,8-11,13-15H2,1-4H3/p+1/t17-/m0/s1