2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-5-[(1R)-1-phenylethoxy]pyran-4-one

Systemtic Name: 2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-5-[(1R)-1-phenylethoxy]pyran-4-one Openeye Name: 2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-5-[(1R)-1-phenylethoxy]pyran-4-one CAS Name: 2-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-5-[(1R)-1-phenylethoxy]-4-pyranone IUPAC Name: 2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-5-[(1R)-1-phenylethoxy]pyran-4-one Traditional Name: 2-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-5-[(1R)-1-phenylethoxy]pyran-4-one Formula: C23H25N2O5+ MolecularWeight: 409.455

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC2=COC(=CC2=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)OC2=COC(=CC2=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C23H24N2O5/c1-17(18-6-3-2-4-7-18)30-22-16-29-19(14-20(22)26)15-24-9-11-25(12-10-24)23(27)21-8-5-13-28-21/h2-8,13-14,16-17H,9-12,15H2,1H3/p+1/t17-/m1/s1