2-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-ethyl-benzimidazol-1-ium-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-ethyl-benzimidazol-1-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-ethyl-benzimidazol-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-ethyl-1-benzimidazol-1-iumyl]-1-phenylethanone IUPAC Name: 2-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-ethylbenzimidazol-1-ium-1-yl]-1-phenylethanone Traditional Name: 2-[2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-ethyl-benzimidazol-1-ium-1-yl]-1-phenyl-ethanone Formula: C26H23N2O3+ MolecularWeight: 411.47242

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2[N+](=C1C=CC3=CC4=C(C=C3)OCO4)CC(=O)C5=CC=CC=C5

Isomeric SMILES

CCN1C2=CC=CC=C2[N+](=C1/C=C/C3=CC4=C(C=C3)OCO4)CC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H23N2O3/c1-2-27-21-10-6-7-11-22(21)28(17-23(29)20-8-4-3-5-9-20)26(27)15-13-19-12-14-24-25(16-19)31-18-30-24/h3-16H,2,17-18H2,1H3/q+1/b15-13+