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

Systemtic Name: ethyl 4-[7-oxidanyl-4-oxidanylidene-8-[(4-propan-2-ylpiperazin-4-ium-1-yl)methyl]chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-8-[(4-isopropylpiperazin-4-ium-1-yl)methyl]-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-4-oxo-8-[(4-propan-2-yl-1-piperazin-4-iumyl)methyl]-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-4-oxo-8-[(4-propan-2-ylpiperazin-4-ium-1-yl)methyl]chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-8-[(4-isopropylpiperazin-4-ium-1-yl)methyl]-4-keto-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C26H31N2O6+ MolecularWeight: 467.53414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CC[NH+](CC4)C(C)C)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CC[NH+](CC4)C(C)C)O

InChI

InChI=1S/C26H30N2O6/c1-4-32-26(31)18-5-7-19(8-6-18)34-23-16-33-25-20(24(23)30)9-10-22(29)21(25)15-27-11-13-28(14-12-27)17(2)3/h5-10,16-17,29H,4,11-15H2,1-3H3/p+1