4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-(6-bromo-2-oxo-chromen-3-yl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-(6-bromo-2-oxo-1-benzopyran-3-yl)-7-hydroxy-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-(6-bromo-2-oxochromen-3-yl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-(6-bromo-2-keto-chromen-3-yl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C24H21BrNO5+ MolecularWeight: 483.33124

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Br)OC4=O)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Br)OC4=O)O

InChI

InChI=1S/C24H20BrNO5/c25-15-4-7-21-14(10-15)11-18(24(29)30-21)17-12-22(28)31-23-16(17)5-6-20(27)19(23)13-26-8-2-1-3-9-26/h4-7,10-12,27H,1-3,8-9,13H2/p+1