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

Systemtic Name: 3-(3,5-dimethylphenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-4-one CAS Name: 3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-1-benzopyran-4-one IUPAC Name: 3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-4-one Traditional Name: 3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromone Formula: C24H28NO4+ MolecularWeight: 394.48342

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO4/c1-15-6-8-25(9-7-15)13-20-21(26)5-4-19-23(27)22(14-28-24(19)20)29-18-11-16(2)10-17(3)12-18/h4-5,10-12,14-15,26H,6-9,13H2,1-3H3/p+1