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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-methyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-8-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromone Formula: C25H30NO5+ MolecularWeight: 424.5094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO5/c1-15-7-5-6-12-26(15)14-19-20(27)10-9-18-24(28)23(16(2)31-25(18)19)17-8-11-21(29-3)22(13-17)30-4/h8-11,13,15,27H,5-7,12,14H2,1-4H3/p+1/t15-/m1/s1