N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]furan-2-carboxamide

Systemtic Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]furan-2-carboxamide Openeye Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-2-furancarboxamide IUPAC Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]furan-2-carboxamide Traditional Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-2-furamide Formula: C19H21N4O3S+ MolecularWeight: 385.46004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CNC(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CNC(=O)C4=CC=CO4

InChI

InChI=1S/C19H20N4O3S/c24-18(12-20-19(25)15-5-3-11-26-15)23-9-7-22(8-10-23)13-17-21-14-4-1-2-6-16(14)27-17/h1-6,11H,7-10,12-13H2,(H,20,25)/p+1