3-(4-chloranyl-3,5-dimethyl-phenoxy)-7-[3-(4-methylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]chromen-4-one

Systemtic Name: 3-(4-chloranyl-3,5-dimethyl-phenoxy)-7-[3-(4-methylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]chromen-4-one Openeye Name: 3-(4-chloro-3,5-dimethyl-phenoxy)-7-[2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]chromen-4-one CAS Name: 3-(4-chloro-3,5-dimethylphenoxy)-7-[2-hydroxy-3-(4-methyl-1-piperidin-1-iumyl)propoxy]-1-benzopyran-4-one IUPAC Name: 3-(4-chloro-3,5-dimethylphenoxy)-7-[2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]chromen-4-one Traditional Name: 3-(4-chloro-3,5-dimethyl-phenoxy)-7-[2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]chromone Formula: C26H31ClNO5+ MolecularWeight: 472.98104

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(COC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=C(C(=C4)C)Cl)C)O

Isomeric SMILES

CC1CC[NH+](CC1)CC(COC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=C(C(=C4)C)Cl)C)O

InChI

InChI=1S/C26H30ClNO5/c1-16-6-8-28(9-7-16)13-19(29)14-31-20-4-5-22-23(12-20)32-15-24(26(22)30)33-21-10-17(2)25(27)18(3)11-21/h4-5,10-12,15-16,19,29H,6-9,13-14H2,1-3H3/p+1