4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 4-(6-bromo-2-oxo-chromen-3-yl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 4-(6-bromo-2-oxo-1-benzopyran-3-yl)-8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-(6-bromo-2-oxochromen-3-yl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 4-(6-bromo-2-keto-chromen-3-yl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-keto-chromen-7-olate Formula: C25H23BrN2O5 MolecularWeight: 511.36452

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Br)OC4=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Br)OC4=O)[O-]

InChI

InChI=1S/C25H23BrN2O5/c1-2-27-7-9-28(10-8-27)14-20-21(29)5-4-17-18(13-23(30)33-24(17)20)19-12-15-11-16(26)3-6-22(15)32-25(19)31/h3-6,11-13,29H,2,7-10,14H2,1H3