methyl 4-[8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate

Systemtic Name: methyl 4-[8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: methyl 4-[7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-chromen-3-yl]oxybenzoic acid methyl ester Formula: C24H27N2O7+ MolecularWeight: 455.48038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)CCO)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)CCO)O

InChI

InChI=1S/C24H26N2O7/c1-31-24(30)16-2-4-17(5-3-16)33-21-15-32-23-18(22(21)29)6-7-20(28)19(23)14-26-10-8-25(9-11-26)12-13-27/h2-7,15,27-28H,8-14H2,1H3/p+1