3-(3,4-dimethoxyphenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromone Formula: C23H26NO5+ MolecularWeight: 396.45624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O)OC

InChI

InChI=1S/C23H25NO5/c1-27-20-9-6-15(12-21(20)28-2)18-14-29-23-16(22(18)26)7-8-19(25)17(23)13-24-10-4-3-5-11-24/h6-9,12,14,25H,3-5,10-11,13H2,1-2H3/p+1