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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=CC=CC=C5OC4=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO5/c1-15-5-4-10-26(13-15)14-20-21(27)9-8-17-18(12-23(28)31-24(17)20)19-11-16-6-2-3-7-22(16)30-25(19)29/h2-3,6-9,11-12,15,27H,4-5,10,13-14H2,1H3/p+1/t15-/m0/s1