3-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Formula: C18H21N4OS+ MolecularWeight: 341.45054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=S)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=S)CC4=CC=CC=N4

InChI

InChI=1S/C18H20N4OS/c24-18-22(16-6-1-2-7-17(16)23-18)14-21-11-9-20(10-12-21)13-15-5-3-4-8-19-15/h1-8H,9-14H2/p+1