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

Systemtic Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(benzofurazan-4-ylmethyl)-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C18H23N4O2S+ MolecularWeight: 359.46582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC=CC3=NON=C32)CCO)CC4=CC=CS4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=CC3=NON=C32)CCO)CC4=CC=CS4

InChI

InChI=1S/C18H22N4O2S/c23-9-6-15-12-21(7-8-22(15)13-16-4-2-10-25-16)11-14-3-1-5-17-18(14)20-24-19-17/h1-5,10,15,23H,6-9,11-13H2/p+1/t15-/m0/s1