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

Systemtic Name: ethyl 4-[8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-methyl-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-2-methyl-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C26H31N2O7+ MolecularWeight: 483.53354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)CCO)O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)CCO)O)C

InChI

InChI=1S/C26H30N2O7/c1-3-33-26(32)18-4-6-19(7-5-18)35-24-17(2)34-25-20(23(24)31)8-9-22(30)21(25)16-28-12-10-27(11-13-28)14-15-29/h4-9,29-30H,3,10-16H2,1-2H3/p+1