2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-1-phenothiazin-10-yl-ethanone

Systemtic Name: 2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[4-(2-furoyl)piperazin-1-ium-1-yl]-1-phenothiazin-10-yl-ethanone Formula: C23H22N3O3S+ MolecularWeight: 420.50408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)C5=CC=CO5

InChI

InChI=1S/C23H21N3O3S/c27-22(16-24-11-13-25(14-12-24)23(28)19-8-5-15-29-19)26-17-6-1-3-9-20(17)30-21-10-4-2-7-18(21)26/h1-10,15H,11-14,16H2/p+1