1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-[4-(2-furoyl)piperazino]-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]ethanone Formula: C24H28N5O4S+ MolecularWeight: 482.57522

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)N4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)N4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C24H27N5O4S/c30-22(28-7-9-29(10-8-28)24(31)20-6-3-13-33-20)17-34-23-18-4-1-2-5-19(18)25-21(26-23)16-27-11-14-32-15-12-27/h1-6,13H,7-12,14-17H2/p+1