4-oxidanyl-3-phenoxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 4-oxidanyl-3-phenoxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-3-phenoxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-3-phenoxy-8-(1-piperidin-1-iumylmethyl)-2-(trifluoromethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-3-phenoxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-3-phenoxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C22H25F3NO4+ MolecularWeight: 424.43341

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2C3C(=C(C(=C(O3)C(F)(F)F)OC4=CC=CC=C4)O)CCC2=O

Isomeric SMILES

C1CC[NH+](CC1)CC2C3C(=C(C(=C(O3)C(F)(F)F)OC4=CC=CC=C4)O)CCC2=O

InChI

InChI=1S/C22H24F3NO4/c23-22(24,25)21-20(29-14-7-3-1-4-8-14)18(28)15-9-10-17(27)16(19(15)30-21)13-26-11-5-2-6-12-26/h1,3-4,7-8,16,19,28H,2,5-6,9-13H2/p+1