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

Systemtic Name: 3-(4-chloranyl-3,5-dimethyl-phenoxy)-7-(2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy)chromen-4-one Openeye Name: 3-(4-chloro-3,5-dimethyl-phenoxy)-7-(2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy)chromen-4-one CAS Name: 3-(4-chloro-3,5-dimethylphenoxy)-7-[2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-1-benzopyran-4-one IUPAC Name: 3-(4-chloro-3,5-dimethylphenoxy)-7-(2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy)chromen-4-one Traditional Name: 3-(4-chloro-3,5-dimethyl-phenoxy)-7-(2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy)chromone Formula: C24H27ClNO5+ MolecularWeight: 444.92788

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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+]4CCCC4)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OCC(C[NH+]4CCCC4)O

InChI

InChI=1S/C24H26ClNO5/c1-15-9-19(10-16(2)23(15)25)31-22-14-30-21-11-18(5-6-20(21)24(22)28)29-13-17(27)12-26-7-3-4-8-26/h5-6,9-11,14,17,27H,3-4,7-8,12-13H2,1-2H3/p+1