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

Systemtic Name: 4-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-7-methoxy-coumarin Formula: C20H21N2O5+ MolecularWeight: 369.39114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H20N2O5/c1-25-15-4-5-16-14(11-19(23)27-18(16)12-15)13-21-6-8-22(9-7-21)20(24)17-3-2-10-26-17/h2-5,10-12H,6-9,13H2,1H3/p+1