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

Systemtic Name: 2-[(E)-2-methoxy-2-phenyl-ethenyl]-1-methyl-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium Openeye Name: 2-[(E)-2-methoxy-2-phenyl-vinyl]-1-methyl-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium CAS Name: 2-[(E)-2-methoxy-2-phenylethenyl]-1-methyl-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium IUPAC Name: 2-[(E)-2-methoxy-2-phenylethenyl]-1-methyl-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium Traditional Name: 2-[(E)-2-methoxy-2-phenyl-vinyl]-1-methyl-3-(3-phenylprop-2-ynyl)benzimidazol-1-ium Formula: C26H23N2O+ MolecularWeight: 379.47362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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/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/h3-10,12-13,15-18,20H,19H2,1-2H3/q+1/b25-20+