N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H19N4O3S+ MolecularWeight: 371.43346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC3=CC=CC=C3S2)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC3=CC=CC=C3S2)C(=O)C4=CC=CO4

InChI

InChI=1S/C18H18N4O3S/c23-16(20-18-19-13-4-1-2-6-15(13)26-18)12-21-7-9-22(10-8-21)17(24)14-5-3-11-25-14/h1-6,11H,7-10,12H2,(H,19,20,23)/p+1