6-ethyl-4-methyl-7-oxidanyl-8-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethyl-4-methyl-7-oxidanyl-8-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]coumarin Formula: C23H25F3N3O3+ MolecularWeight: 448.45811

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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=NC=C(C=C4)C(F)(F)F)O

Isomeric SMILES

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

InChI

InChI=1S/C23H24F3N3O3/c1-3-15-11-17-14(2)10-20(30)32-22(17)18(21(15)31)13-28-6-8-29(9-7-28)19-5-4-16(12-27-19)23(24,25)26/h4-5,10-12,31H,3,6-9,13H2,1-2H3/p+1