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

Systemtic Name: 5-[(2,5-dimethylphenyl)methoxy]-2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Openeye Name: 5-[(2,5-dimethylphenyl)methoxy]-2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]pyran-4-one CAS Name: 5-[(2,5-dimethylphenyl)methoxy]-2-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-4-pyranone IUPAC Name: 5-[(2,5-dimethylphenyl)methoxy]-2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Traditional Name: 5-(2,5-dimethylbenzyl)oxy-2-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Formula: C24H27N2O5+ MolecularWeight: 423.48158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5/c1-17-5-6-18(2)19(12-17)15-31-23-16-30-20(13-21(23)27)14-25-7-9-26(10-8-25)24(28)22-4-3-11-29-22/h3-6,11-13,16H,7-10,14-15H2,1-2H3/p+1