8-methyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-(2-oxidanylidenechromen-3-yl)chromen-2-one

Systemtic Name: 8-methyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-(2-oxidanylidenechromen-3-yl)chromen-2-one Openeye Name: 7-hydroxy-8-methyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-(2-oxochromen-3-yl)chromen-2-one CAS Name: 7-hydroxy-8-methyl-6-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-4-(2-oxo-1-benzopyran-3-yl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-(2-oxochromen-3-yl)chromen-2-one Traditional Name: 7-hydroxy-4-(2-ketochromen-3-yl)-8-methyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C26H26NO5+ MolecularWeight: 432.48834

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C(=C3C(=C2)C(=CC(=O)O3)C4=CC5=CC=CC=C5OC4=O)C)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C(=C3C(=C2)C(=CC(=O)O3)C4=CC5=CC=CC=C5OC4=O)C)O

InChI

InChI=1S/C26H25NO5/c1-15-6-5-9-27(13-15)14-18-11-20-19(12-23(28)32-25(20)16(2)24(18)29)21-10-17-7-3-4-8-22(17)31-26(21)30/h3-4,7-8,10-12,15,29H,5-6,9,13-14H2,1-2H3/p+1/t15-/m0/s1