8-[[(2R)-2-(4-methoxyphenyl)piperidin-1-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one

Systemtic Name: 8-[[(2R)-2-(4-methoxyphenyl)piperidin-1-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one Openeye Name: 7-hydroxy-8-[[(2R)-2-(4-methoxyphenyl)piperidin-1-ium-1-yl]methyl]-3-phenyl-chromen-4-one CAS Name: 7-hydroxy-8-[[(2R)-2-(4-methoxyphenyl)-1-piperidin-1-iumyl]methyl]-3-phenyl-1-benzopyran-4-one IUPAC Name: 7-hydroxy-8-[[(2R)-2-(4-methoxyphenyl)piperidin-1-ium-1-yl]methyl]-3-phenylchromen-4-one Traditional Name: 7-hydroxy-8-[[(2R)-2-(4-methoxyphenyl)piperidin-1-ium-1-yl]methyl]-3-phenyl-chromone Formula: C28H28NO4+ MolecularWeight: 442.52622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCC[NH+]2CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCC[NH+]2CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O

InChI

InChI=1S/C28H27NO4/c1-32-21-12-10-20(11-13-21)25-9-5-6-16-29(25)17-23-26(30)15-14-22-27(31)24(18-33-28(22)23)19-7-3-2-4-8-19/h2-4,7-8,10-15,18,25,30H,5-6,9,16-17H2,1H3/p+1/t25-/m1/s1