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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCOC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1CC[NH+](CC1)CCOC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H29NO5/c1-17-8-10-26(11-9-17)12-13-30-19-5-6-20-23(15-19)31-16-21(25(20)27)18-4-7-22(28-2)24(14-18)29-3/h4-7,14-17H,8-13H2,1-3H3/p+1