3-(2,4-dichlorophenyl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(2,4-dichlorophenyl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(2,4-dichlorophenyl)-7-hydroxy-8-[(2-methylpiperidin-1-ium-1-yl)methyl]chromen-4-one CAS Name: 3-(2,4-dichlorophenyl)-7-hydroxy-8-[(2-methyl-1-piperidin-1-iumyl)methyl]-1-benzopyran-4-one IUPAC Name: 3-(2,4-dichlorophenyl)-7-hydroxy-8-[(2-methylpiperidin-1-ium-1-yl)methyl]chromen-4-one Traditional Name: 3-(2,4-dichlorophenyl)-7-hydroxy-8-[(2-methylpiperidin-1-ium-1-yl)methyl]chromone Formula: C22H22Cl2NO3+ MolecularWeight: 419.32098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=C(C=C(C=C4)Cl)Cl)O

Isomeric SMILES

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=C(C=C(C=C4)Cl)Cl)O

InChI

InChI=1S/C22H21Cl2NO3/c1-13-4-2-3-9-25(13)11-17-20(26)8-7-16-21(27)18(12-28-22(16)17)15-6-5-14(23)10-19(15)24/h5-8,10,12-13,26H,2-4,9,11H2,1H3/p+1