3-(3,5-dimethylphenoxy)-2-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(3,5-dimethylphenoxy)-2-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromone Formula: C25H30NO4+ MolecularWeight: 408.51

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC(=CC(=C4)C)C)C)O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC(=CC(=C4)C)C)C)O

InChI

InChI=1S/C25H29NO4/c1-15-6-5-9-26(13-15)14-21-22(27)8-7-20-23(28)24(18(4)29-25(20)21)30-19-11-16(2)10-17(3)12-19/h7-8,10-12,15,27H,5-6,9,13-14H2,1-4H3/p+1/t15-/m1/s1