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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4OS/c1-14(2)5-7-22-9-8-21(13-16(22)6-10-23)12-15-3-4-17-18(11-15)20-24-19-17/h3-5,11,16,23H,6-10,12-13H2,1-2H3/p+1/t16-/m0/s1