3-(3,5-dimethylphenoxy)-2-methyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 3-(3,5-dimethylphenoxy)-2-methyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromone Formula: C24H28NO4+ MolecularWeight: 394.48342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O)C)C

InChI

InChI=1S/C24H27NO4/c1-15-11-16(2)13-18(12-15)29-23-17(3)28-24-19(22(23)27)7-8-21(26)20(24)14-25-9-5-4-6-10-25/h7-8,11-13,26H,4-6,9-10,14H2,1-3H3/p+1