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

Systemtic Name: 3-(3-chlorophenyl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(3-chlorophenyl)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(3-chlorophenyl)-7-hydroxy-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(3-chlorophenyl)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(3-chlorophenyl)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromone Formula: C23H22ClF3NO3+ MolecularWeight: 452.87389

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC(=CC=C4)Cl)C(F)(F)F)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC(=CC=C4)Cl)C(F)(F)F)O

InChI

InChI=1S/C23H21ClF3NO3/c1-13-7-9-28(10-8-13)12-17-18(29)6-5-16-20(30)19(14-3-2-4-15(24)11-14)22(23(25,26)27)31-21(16)17/h2-6,11,13,29H,7-10,12H2,1H3/p+1