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

Systemtic Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-(piazthiol-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C14H21N4OS+ MolecularWeight: 293.40774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4OS/c1-17-5-6-18(10-12(17)4-7-19)9-11-2-3-13-14(8-11)16-20-15-13/h2-3,8,12,19H,4-7,9-10H2,1H3/p+1/t12-/m0/s1