bis[5-[(4R)-4-(4-cyanophenyl)-5-ethoxycarbonyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]pentyl]-dimethyl-azanium

Systemtic Name: bis[5-[(4R)-4-(4-cyanophenyl)-5-ethoxycarbonyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]pentyl]-dimethyl-azanium Openeye Name: bis[5-[(4R)-4-(4-cyanophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]pentyl]-dimethyl-ammonium CAS Name: bis[5-[(4R)-4-(4-cyanophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]pentyl]-dimethylammonium IUPAC Name: bis[5-[(4R)-4-(4-cyanophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]pentyl]-dimethylazanium Traditional Name: bis[5-[(4R)-5-carbethoxy-4-(4-cyanophenyl)-2-keto-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]pentyl]-dimethyl-ammonium Formula: C56H60F6N7O6+ MolecularWeight: 1041.109319

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)N(C1C2=CC=C(C=C2)C#N)CCCCC[N+](C)(C)CCCCCN3C(C(=C(N(C3=O)C4=CC=CC(=C4)C(F)(F)F)C)C(=O)OCC)C5=CC=C(C=C5)C#N)C6=CC=CC(=C6)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N([C@@H]1C2=CC=C(C=C2)C#N)CCCCC[N+](C)(C)CCCCCN3[C@@H](C(=C(N(C3=O)C4=CC=CC(=C4)C(F)(F)F)C)C(=O)OCC)C5=CC=C(C=C5)C#N)C6=CC=CC(=C6)C(F)(F)F)C

InChI

InChI=1S/C56H60F6N7O6/c1-7-74-51(70)47-37(3)67(45-19-15-17-43(33-45)55(57,58)59)53(72)65(49(47)41-25-21-39(35-63)22-26-41)29-11-9-13-31-69(5,6)32-14-10-12-30-66-50(42-27-23-40(36-64)24-28-42)48(52(71)75-8-2)38(4)68(54(66)73)46-20-16-18-44(34-46)56(60,61)62/h15-28,33-34,49-50H,7-14,29-32H2,1-6H3/q+1/t49-,50-/m1/s1