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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC(=CC(=C4)C)C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO4/c1-15-11-16(2)13-19(12-15)30-24-18(4)29-25-20(23(24)28)8-9-22(27)21(25)14-26-10-6-5-7-17(26)3/h8-9,11-13,17,27H,5-7,10,14H2,1-4H3/p+1/t17-/m0/s1