4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-(6-bromo-2-oxo-chromen-3-yl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one CAS Name: 4-(6-bromo-2-oxo-1-benzopyran-3-yl)-7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 4-(6-bromo-2-oxochromen-3-yl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one Traditional Name: 4-(6-bromo-2-keto-chromen-3-yl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]coumarin Formula: C24H22BrN2O5+ MolecularWeight: 498.34588

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Br)OC4=O)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Br)OC4=O)O

InChI

InChI=1S/C24H21BrN2O5/c1-26-6-8-27(9-7-26)13-19-20(28)4-3-16-17(12-22(29)32-23(16)19)18-11-14-10-15(25)2-5-21(14)31-24(18)30/h2-5,10-12,28H,6-9,13H2,1H3/p+1