4-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C20H21N2O4+ MolecularWeight: 353.39174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H20N2O4/c1-14-4-5-16-15(12-19(23)26-18(16)11-14)13-21-6-8-22(9-7-21)20(24)17-3-2-10-25-17/h2-5,10-12H,6-9,13H2,1H3/p+1