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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-methyl-7-[2-(4-methylpiperidin-1-ium-1-yl)ethoxy]chromen-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-methyl-7-[2-(4-methylpiperidin-1-ium-1-yl)ethoxy]chromen-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-methyl-7-[2-(4-methyl-1-piperidin-1-iumyl)ethoxy]-1-benzopyran-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-methyl-7-[2-(4-methylpiperidin-1-ium-1-yl)ethoxy]chromen-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-methyl-7-[2-(4-methylpiperidin-1-ium-1-yl)ethoxy]chromone Formula: C26H32NO5+ MolecularWeight: 438.53598

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCOC2=CC3=C(C=C2)C(=O)C(=C(O3)C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1CC[NH+](CC1)CCOC2=CC3=C(C=C2)C(=O)C(=C(O3)C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H31NO5/c1-17-9-11-27(12-10-17)13-14-31-20-6-7-21-23(16-20)32-18(2)25(26(21)28)19-5-8-22(29-3)24(15-19)30-4/h5-8,15-17H,9-14H2,1-4H3/p+1