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

Systemtic Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-(piazthiol-5-ylmethyl)piperazin-4-ium-1-yl]ethanol Formula: C13H19N4OS+ MolecularWeight: 279.38116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=NSN=C3C=C2)CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=NSN=C3C=C2)CCO

InChI

InChI=1S/C13H18N4OS/c18-8-7-16-3-5-17(6-4-16)10-11-1-2-12-13(9-11)15-19-14-12/h1-2,9,18H,3-8,10H2/p+1