2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-isobutyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isobutyl-4-(piazthiol-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C17H27N4OS+ MolecularWeight: 335.48748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1CCO)CC2=CC3=NSN=C3C=C2

Isomeric SMILES

CC(C)C[NH+]1CCN(C[C@@H]1CCO)CC2=CC3=NSN=C3C=C2

InChI

InChI=1S/C17H26N4OS/c1-13(2)10-21-7-6-20(12-15(21)5-8-22)11-14-3-4-16-17(9-14)19-23-18-16/h3-4,9,13,15,22H,5-8,10-12H2,1-2H3/p+1/t15-/m0/s1