[5-[[4-[3-[3-(4-fluorophenyl)-3-oxidanyl-propyl]-2-(4-methoxyphenyl)-4-oxidanylidene-azetidin-1-yl]phenyl]methylamino]-5-oxidanylidene-pentyl]-[2,3,4,5,6-pentakis(oxidanyl)hexyl]-(phenylmethyl)azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [5-[[4-[3-[3-(4-fluorophenyl)-3-oxidanyl-propyl]-2-(4-methoxyphenyl)-4-oxidanylidene-azetidin-1-yl]phenyl]methylamino]-5-oxidanylidene-pentyl]-[2,3,4,5,6-pentakis(oxidanyl)hexyl]-(phenylmethyl)azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: benzyl-[5-[[4-[3-[3-(4-fluorophenyl)-3-hydroxy-propyl]-2-(4-methoxyphenyl)-4-oxo-azetidin-1-yl]phenyl]methylamino]-5-oxo-pentyl]-(2,3,4,5,6-pentahydroxyhexyl)ammonium; 2,2,2-trifluoroacetate CAS Name: [5-[[4-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl]phenyl]methylamino]-5-oxopentyl]-(2,3,4,5,6-pentahydroxyhexyl)-(phenylmethyl)ammonium; 2,2,2-trifluoroacetate IUPAC Name: benzyl-[5-[[4-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methylamino]-5-oxopentyl]-(2,3,4,5,6-pentahydroxyhexyl)azanium; 2,2,2-trifluoroacetate Traditional Name: benzyl-[5-[[4-[3-[3-(4-fluorophenyl)-3-hydroxy-propyl]-2-keto-4-(4-methoxyphenyl)azetidin-1-yl]benzyl]amino]-5-keto-pentyl]-(2,3,4,5,6-pentahydroxyhexyl)ammonium; 2,2,2-trifluoroacetate Formula: C46H55F4N3O11 MolecularWeight: 901.936013

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)CNC(=O)CCCC[NH+](CC4=CC=CC=C4)CC(C(C(C(CO)O)O)O)O)CCC(C5=CC=C(C=C5)F)O.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)CNC(=O)CCCC[NH+](CC4=CC=CC=C4)CC(C(C(C(CO)O)O)O)O)CCC(C5=CC=C(C=C5)F)O.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C44H54FN3O9.C2HF3O2/c1-57-35-20-14-32(15-21-35)41-36(22-23-37(50)31-12-16-33(45)17-13-31)44(56)48(41)34-18-10-29(11-19-34)25-46-40(53)9-5-6-24-47(26-30-7-3-2-4-8-30)27-38(51)42(54)43(55)39(52)28-49;3-2(4,5)1(6)7/h2-4,7-8,10-21,36-39,41-43,49-52,54-55H,5-6,9,22-28H2,1H3,(H,46,53);(H,6,7)