4-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one CAS Name: 4-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-5,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethylchromen-2-one Traditional Name: 4-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-coumarin Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C

InChI

InChI=1S/C21H22N2O4/c1-14-10-15(2)20-16(12-19(24)27-18(20)11-14)13-22-5-7-23(8-6-22)21(25)17-4-3-9-26-17/h3-4,9-12H,5-8,13H2,1-2H3/p+1