2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-5-[(3-methylphenyl)methoxy]pyran-4-one

Systemtic Name: 2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-5-[(3-methylphenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-5-(m-tolylmethoxy)pyran-4-one CAS Name: 2-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-5-[(3-methylphenyl)methoxy]-4-pyranone IUPAC Name: 2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-5-[(3-methylphenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-5-(3-methylbenzyl)oxy-pyran-4-one Formula: C23H25N2O5+ MolecularWeight: 409.455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=COC(=CC2=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC(=CC=C1)COC2=COC(=CC2=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

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