ethyl 4-[8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4-keto-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C25H30N2O7+2 MolecularWeight: 470.5149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O7/c1-2-32-25(31)17-3-5-18(6-4-17)34-22-16-33-24-19(23(22)30)7-8-21(29)20(24)15-27-11-9-26(10-12-27)13-14-28/h3-8,16,28-29H,2,9-15H2,1H3/p+2