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

Systemtic Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-cyclopentyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-cyclopentyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-cyclopentyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-cyclopentylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-(piazthiol-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C18H27N4OS+ MolecularWeight: 347.49818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2CCO)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C18H26N4OS/c23-10-7-16-13-21(8-9-22(16)15-3-1-2-4-15)12-14-5-6-17-18(11-14)20-24-19-17/h5-6,11,15-16,23H,1-4,7-10,12-13H2/p+1/t16-/m0/s1