6-ethyl-4-methyl-7-oxidanyl-8-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethyl-4-methyl-7-oxidanyl-8-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]coumarin Formula: C24H26F3N2O3+ MolecularWeight: 447.47005

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)O

InChI

InChI=1S/C24H25F3N2O3/c1-3-16-12-19-15(2)11-21(30)32-23(19)20(22(16)31)14-28-7-9-29(10-8-28)18-6-4-5-17(13-18)24(25,26)27/h4-6,11-13,31H,3,7-10,14H2,1-2H3/p+1