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

Systemtic Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(3-thienylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(3-thiophenylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(piazthiol-5-ylmethyl)-1-(3-thenyl)piperazin-1-ium-2-yl]ethanol Formula: C18H23N4OS2+ MolecularWeight: 375.53142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CC2=CSC=C2)CCO)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CC2=CSC=C2)CCO)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C18H22N4OS2/c23-7-3-16-12-21(5-6-22(16)11-15-4-8-24-13-15)10-14-1-2-17-18(9-14)20-25-19-17/h1-2,4,8-9,13,16,23H,3,5-7,10-12H2/p+1/t16-/m0/s1