6-butyl-2-ethyl-7a-(4-fluorophenyl)-2-methyl-3a-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-2-ium-3-one

Systemtic Name: 6-butyl-2-ethyl-7a-(4-fluorophenyl)-2-methyl-3a-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-2-ium-3-one Openeye Name: 6-butyl-2-ethyl-7a-(4-fluorophenyl)-2-methyl-3a-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-2-ium-3-one CAS Name: 6-butyl-2-ethyl-7a-(4-fluorophenyl)-2-methyl-3a-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-2-ium-3-one IUPAC Name: 6-butyl-2-ethyl-7a-(4-fluorophenyl)-2-methyl-3a-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-2-ium-3-one Traditional Name: 6-butyl-2-ethyl-7a-(4-fluorophenyl)-2-methyl-3a-[4-(trifluoromethyl)phenyl]indoxazen-2-ium-3-one Formula: C27H28F4NO2+ MolecularWeight: 474.510333

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2(C(C=C1)(C(=O)[N+](O2)(C)CC)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCC1=CC2(C(C=C1)(C(=O)[N+](O2)(C)CC)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H28F4NO2/c1-4-6-7-19-16-17-25(20-8-10-22(11-9-20)27(29,30)31)24(33)32(3,5-2)34-26(25,18-19)21-12-14-23(28)15-13-21/h8-18H,4-7H2,1-3H3/q+1