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

Systemtic Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-cyclohexyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-cyclohexylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-(piazthiol-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C19H29N4OS+ MolecularWeight: 361.52476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C19H28N4OS/c24-11-8-17-14-22(9-10-23(17)16-4-2-1-3-5-16)13-15-6-7-18-19(12-15)21-25-20-18/h6-7,12,16-17,24H,1-5,8-11,13-14H2/p+1/t17-/m0/s1