3-(2,4-dichlorophenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 3-(2,4-dichlorophenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 3-(2,4-dichlorophenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 3-(2,4-dichlorophenyl)-7-hydroxy-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(2,4-dichlorophenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 3-(2,4-dichlorophenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromone Formula: C21H20Cl2NO3+ MolecularWeight: 405.2944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=C(C=C(C=C4)Cl)Cl)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=C(C=C(C=C4)Cl)Cl)O

InChI

InChI=1S/C21H19Cl2NO3/c22-13-4-5-14(18(23)10-13)17-12-27-21-15(20(17)26)6-7-19(25)16(21)11-24-8-2-1-3-9-24/h4-7,10,12,25H,1-3,8-9,11H2/p+1