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

Systemtic Name: ethyl 4-[7-oxidanyl-4-oxidanylidene-8-[(4-prop-2-enylpiperazin-4-ium-1-yl)methyl]chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-[(4-allylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-4-oxo-8-[(4-prop-2-enyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-4-oxo-8-[(4-prop-2-enylpiperazin-4-ium-1-yl)methyl]chromen-3-yl]oxybenzoate Traditional Name: 4-[8-[(4-allylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-4-keto-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C26H29N2O6+ MolecularWeight: 465.51826

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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)CC=C)O

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O6/c1-3-11-27-12-14-28(15-13-27)16-21-22(29)10-9-20-24(30)23(17-33-25(20)21)34-19-7-5-18(6-8-19)26(31)32-4-2/h3,5-10,17,29H,1,4,11-16H2,2H3/p+1