1-[3,5-bis(4-fluorophenyl)-3-(phenylmethyl)imidazol-3-ium-4-yl]butan-1-ol

Systemtic Name: 1-[3,5-bis(4-fluorophenyl)-3-(phenylmethyl)imidazol-3-ium-4-yl]butan-1-ol Openeye Name: 1-[3-benzyl-3,5-bis(4-fluorophenyl)imidazol-3-ium-4-yl]butan-1-ol CAS Name: 1-[3,5-bis(4-fluorophenyl)-3-(phenylmethyl)-4-imidazol-3-iumyl]-1-butanol IUPAC Name: 1-[3-benzyl-3,5-bis(4-fluorophenyl)imidazol-3-ium-4-yl]butan-1-ol Traditional Name: 1-[3-benzyl-3,5-bis(4-fluorophenyl)imidazol-3-ium-4-yl]butan-1-ol Formula: C26H25F2N2O+ MolecularWeight: 419.486306

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(N=C[N+]1(CC2=CC=CC=C2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)O

Isomeric SMILES

CCCC(C1=C(N=C[N+]1(CC2=CC=CC=C2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C26H25F2N2O/c1-2-6-24(31)26-25(20-9-11-21(27)12-10-20)29-18-30(26,17-19-7-4-3-5-8-19)23-15-13-22(28)14-16-23/h3-5,7-16,18,24,31H,2,6,17H2,1H3/q+1