6-oxidanyl-5-(piperidin-1-ium-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one

Systemtic Name: 6-oxidanyl-5-(piperidin-1-ium-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one Openeye Name: 6-hydroxy-5-(piperidin-1-ium-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one CAS Name: 6-hydroxy-5-(1-piperidin-1-iumylmethyl)-2-(3,4,5-trimethoxyphenyl)-1-benzopyran-4-one IUPAC Name: 6-hydroxy-5-(piperidin-1-ium-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one Traditional Name: 6-hydroxy-5-(piperidin-1-ium-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)chromone Formula: C24H28NO6+ MolecularWeight: 426.48222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C=CC(=C3C[NH+]4CCCCC4)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C=CC(=C3C[NH+]4CCCCC4)O

InChI

InChI=1S/C24H27NO6/c1-28-21-11-15(12-22(29-2)24(21)30-3)20-13-18(27)23-16(14-25-9-5-4-6-10-25)17(26)7-8-19(23)31-20/h7-8,11-13,26H,4-6,9-10,14H2,1-3H3/p+1