2-[(E)-2-methoxy-2-phenyl-ethenyl]-1-methyl-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium tetrafluoroborate

Systemtic Name: 2-[(E)-2-methoxy-2-phenyl-ethenyl]-1-methyl-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium tetrafluoroborate Openeye Name: 2-[(E)-2-methoxy-2-phenyl-vinyl]-1-methyl-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium tetrafluoroborate CAS Name: 2-[(E)-2-methoxy-2-phenylethenyl]-1-methyl-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium tetrafluoroborate IUPAC Name: 2-[(E)-2-methoxy-2-phenylethenyl]-1-methyl-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium tetrafluoroborate Traditional Name: 2-[(E)-2-methoxy-2-phenyl-vinyl]-1-methyl-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium tetrafluoroborate Formula: C26H23BF4N2O MolecularWeight: 466.278233

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=C(N(C2=CC=CC=C21)CC#CC3=CC=CC=C3)C=C(C4=CC=CC=C4)OC

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=C(N(C2=CC=CC=C21)CC#CC3=CC=CC=C3)/C=C(\C4=CC=CC=C4)/OC

InChI

InChI=1S/C26H23N2O.BF4/c1-27-23-17-9-10-18-24(23)28(19-11-14-21-12-5-3-6-13-21)26(27)20-25(29-2)22-15-7-4-8-16-22;2-1(3,4)5/h3-10,12-13,15-18,20H,19H2,1-2H3;/q+1;-1/b25-20+;