3-(2-bromanylphenoxy)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 3-(2-bromanylphenoxy)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(2-bromophenoxy)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(2-bromophenoxy)-4-oxo-8-(1-piperidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-bromophenoxy)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(2-bromophenoxy)-4-keto-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Formula: C22H19BrF3NO4 MolecularWeight: 498.28977

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)[O-]

InChI

InChI=1S/C22H19BrF3NO4/c23-15-6-2-3-7-17(15)30-20-18(29)13-8-9-16(28)14(12-27-10-4-1-5-11-27)19(13)31-21(20)22(24,25)26/h2-3,6-9,28H,1,4-5,10-12H2