2-(2-chlorophenyl)-8-(1-methyl-3-oxidanyl-piperidin-1-ium-1-yl)-5,7-bis(oxidanyl)chromen-4-one

Systemtic Name: 2-(2-chlorophenyl)-8-(1-methyl-3-oxidanyl-piperidin-1-ium-1-yl)-5,7-bis(oxidanyl)chromen-4-one Openeye Name: 2-(2-chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-piperidin-1-ium-1-yl)chromen-4-one CAS Name: 2-(2-chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-1-piperidin-1-iumyl)-1-benzopyran-4-one IUPAC Name: 2-(2-chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methylpiperidin-1-ium-1-yl)chromen-4-one Traditional Name: 2-(2-chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-piperidin-1-ium-1-yl)chromone Formula: C21H21ClNO5+ MolecularWeight: 402.84814

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O

Isomeric SMILES

C[N+]1(CCCC(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O

InChI

InChI=1S/C21H20ClNO5/c1-23(8-4-5-12(24)11-23)20-17(27)9-15(25)19-16(26)10-18(28-21(19)20)13-6-2-3-7-14(13)22/h2-3,6-7,9-10,12,24H,4-5,8,11H2,1H3,(H-,25,26,27)/p+1