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

Systemtic Name: 8-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-(8-methoxy-2-oxidanylidene-chromen-3-yl)-7-oxidanyl-chromen-2-one Openeye Name: 8-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-4-(8-methoxy-2-oxo-chromen-3-yl)chromen-2-one CAS Name: 8-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-4-(8-methoxy-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-(8-methoxy-2-oxochromen-3-yl)chromen-2-one Traditional Name: 8-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-4-(2-keto-8-methoxy-chromen-3-yl)coumarin Formula: C27H28NO6+ MolecularWeight: 462.51432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C(=CC=C5)OC)OC4=O)O)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C(=CC=C5)OC)OC4=O)O)C

InChI

InChI=1S/C27H27NO6/c1-15-9-16(2)13-28(12-15)14-21-22(29)8-7-18-19(11-24(30)33-26(18)21)20-10-17-5-4-6-23(32-3)25(17)34-27(20)31/h4-8,10-11,15-16,29H,9,12-14H2,1-3H3/p+1/t15-,16-/m1/s1