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

Systemtic Name: 7-[[4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methoxy]-4-methyl-chromen-2-one Openeye Name: 7-[[4-[4-(2-furylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methoxy]-4-methyl-chromen-2-one CAS Name: 7-[[4-[[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]methoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[[4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methoxy]-4-methylchromen-2-one Traditional Name: 7-[4-[4-(2-furfuryl)piperazin-4-ium-1-carbonyl]benzyl]oxy-4-methyl-coumarin Formula: C27H27N2O5+ MolecularWeight: 459.51368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CO5

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CO5

InChI

InChI=1S/C27H26N2O5/c1-19-15-26(30)34-25-16-22(8-9-24(19)25)33-18-20-4-6-21(7-5-20)27(31)29-12-10-28(11-13-29)17-23-3-2-14-32-23/h2-9,14-16H,10-13,17-18H2,1H3/p+1