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

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Formula: C20H21N4OS+ MolecularWeight: 365.47194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H20N4OS/c1-3-7-17-15(5-1)21-19(25-17)13-23-9-11-24(12-10-23)14-20-22-16-6-2-4-8-18(16)26-20/h1-8H,9-14H2/p+1