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

Systemtic Name: 3-(4-chloranyl-3,5-dimethyl-phenoxy)-7-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]chromen-4-one Openeye Name: 3-(4-chloro-3,5-dimethyl-phenoxy)-7-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]chromen-4-one CAS Name: 3-(4-chloro-3,5-dimethylphenoxy)-7-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-1-benzopyran-4-one IUPAC Name: 3-(4-chloro-3,5-dimethylphenoxy)-7-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]chromen-4-one Traditional Name: 3-(4-chloro-3,5-dimethyl-phenoxy)-7-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]chromone Formula: C25H29ClNO5+ MolecularWeight: 458.95446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OCC(C[NH+]4CCCCC4)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OC[C@@H](C[NH+]4CCCCC4)O

InChI

InChI=1S/C25H28ClNO5/c1-16-10-20(11-17(2)24(16)26)32-23-15-31-22-12-19(6-7-21(22)25(23)29)30-14-18(28)13-27-8-4-3-5-9-27/h6-7,10-12,15,18,28H,3-5,8-9,13-14H2,1-2H3/p+1/t18-/m1/s1