8-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-(2-oxidanylidenechromen-3-yl)chromen-2-one

Systemtic Name: 8-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-(2-oxidanylidenechromen-3-yl)chromen-2-one Openeye Name: 8-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-4-(2-oxochromen-3-yl)chromen-2-one CAS Name: 8-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-4-(2-oxo-1-benzopyran-3-yl)-1-benzopyran-2-one IUPAC Name: 8-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-4-(2-oxochromen-3-yl)chromen-2-one Traditional Name: 8-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-4-(2-ketochromen-3-yl)coumarin Formula: C26H26NO5+ MolecularWeight: 432.48834

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=CC=CC=C5OC4=O)O)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=CC=CC=C5OC4=O)O)C

InChI

InChI=1S/C26H25NO5/c1-15-9-16(2)13-27(12-15)14-21-22(28)8-7-18-19(11-24(29)32-25(18)21)20-10-17-5-3-4-6-23(17)31-26(20)30/h3-8,10-11,15-16,28H,9,12-14H2,1-2H3/p+1/t15-,16-/m1/s1