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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC(=CC(=C4)C)C)C)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC(=CC(=C4)C)C)C)O

InChI

InChI=1S/C25H29NO4/c1-15-7-9-26(10-8-15)14-21-22(27)6-5-20-23(28)24(18(4)29-25(20)21)30-19-12-16(2)11-17(3)13-19/h5-6,11-13,15,27H,7-10,14H2,1-4H3/p+1