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2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol
2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol
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Descriptors Computed from Structure
Canonical SMILES:
CC(C)[NH+]1CCN(CC1CCO)CC2=CC3=NSN=C3C=C2
Isomeric SMILES
CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=CC3=NSN=C3C=C2
InChI
InChI=1S/C16H24N4OS/c1-12(2)20-7-6-19(11-14(20)5-8-21)10-13-3-4-15-16(9-13)18-22-17-15/h3-4,9,12,14,21H,5-8,10-11H2,1-2H3/p+1/t14-/m0/s1
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