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

Systemtic Name: 7-oxidanyl-4-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-hydroxy-4-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-4-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]coumarin Formula: C20H20F3N3O3+2 MolecularWeight: 407.38631

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3)O)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3)O)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O3/c21-20(22,23)14-1-4-18(24-11-14)26-7-5-25(6-8-26)12-13-9-19(28)29-17-10-15(27)2-3-16(13)17/h1-4,9-11,27H,5-8,12H2/p+2