2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide

Systemtic Name: 2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide Openeye Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide IUPAC Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Traditional Name: 2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C25H25N4O3S+ MolecularWeight: 461.556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH+]4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH+]4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C25H24N4O3S/c1-17-4-9-20-22(15-17)33-24(27-20)18-5-7-19(8-6-18)26-23(30)16-28-10-12-29(13-11-28)25(31)21-3-2-14-32-21/h2-9,14-15H,10-13,16H2,1H3,(H,26,30)/p+1