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3-[(3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-N-cyclopropyl-propanamide
3-[(3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-N-cyclopropyl-propanamide
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Descriptors Computed from Structure
Canonical SMILES:
C1CC(C[NH+](C1)CC2=CC3=NSN=C3C=C2)CCC(=O)NC4CC4
Isomeric SMILES
C1C[C@H](C[NH+](C1)CC2=CC3=NSN=C3C=C2)CCC(=O)NC4CC4
InChI
InChI=1S/C18H24N4OS/c23-18(19-15-5-6-15)8-4-13-2-1-9-22(11-13)12-14-3-7-16-17(10-14)21-24-20-16/h3,7,10,13,15H,1-2,4-6,8-9,11-12H2,(H,19,23)/p+1/t13-/m0/s1
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