1-[4-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylfuran-2-yl]phenyl]ethanone

Systemtic Name: 1-[4-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylfuran-2-yl]phenyl]ethanone Openeye Name: 1-[4-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-furyl]phenyl]ethanone CAS Name: 1-[4-[5-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-furanyl]phenyl]ethanone IUPAC Name: 1-[4-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]furan-2-yl]phenyl]ethanone Traditional Name: 1-[4-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-furyl]phenyl]ethanone Formula: C25H24N3O3S+ MolecularWeight: 446.54136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H23N3O3S/c1-17(29)18-6-8-19(9-7-18)21-10-11-22(31-21)25(30)28-14-12-27(13-15-28)16-24-26-20-4-2-3-5-23(20)32-24/h2-11H,12-16H2,1H3/p+1