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

Systemtic Name: 3-(4-methoxyphenyl)-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromone Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)OC)O

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)OC)O

InChI

InChI=1S/C23H25NO4/c1-15-5-3-4-12-24(15)13-19-21(25)11-10-18-22(26)20(14-28-23(18)19)16-6-8-17(27-2)9-7-16/h6-11,14-15,25H,3-5,12-13H2,1-2H3/p+1/t15-/m1/s1