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

Systemtic Name: 8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-4-(2-oxidanylidenechromen-3-yl)chromen-2-one Openeye Name: 7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(2-oxochromen-3-yl)chromen-2-one CAS Name: 7-hydroxy-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-(2-oxo-1-benzopyran-3-yl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(2-oxochromen-3-yl)chromen-2-one Traditional Name: 7-hydroxy-4-(2-ketochromen-3-yl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]coumarin Formula: C25H24NO5+ MolecularWeight: 418.46176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=CC=CC=C5OC4=O)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=CC=CC=C5OC4=O)O

InChI

InChI=1S/C25H23NO5/c1-15-8-10-26(11-9-15)14-20-21(27)7-6-17-18(13-23(28)31-24(17)20)19-12-16-4-2-3-5-22(16)30-25(19)29/h2-7,12-13,15,27H,8-11,14H2,1H3/p+1