N-[(E)-2-[1,3-diethyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium-2-yl]ethenyl]aniline

Systemtic Name: N-[(E)-2-[1,3-diethyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium-2-yl]ethenyl]aniline Openeye Name: N-[(E)-2-[1,3-diethyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium-2-yl]vinyl]aniline CAS Name: N-[(E)-2-[1,3-diethyl-5-(trifluoromethylsulfonyl)-2-benzimidazol-1-iumyl]ethenyl]aniline IUPAC Name: N-[(E)-2-[1,3-diethyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium-2-yl]ethenyl]aniline Traditional Name: [(E)-2-(1,3-diethyl-5-triflyl-benzimidazol-1-ium-2-yl)vinyl]-phenyl-amine Formula: C20H21F3N3O2S+ MolecularWeight: 424.45985

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)S(=O)(=O)C(F)(F)F)[N+](=C1C=CNC3=CC=CC=C3)CC

Isomeric SMILES

CCN1C2=C(C=CC(=C2)S(=O)(=O)C(F)(F)F)[N+](=C1/C=C/NC3=CC=CC=C3)CC

InChI

InChI=1S/C20H20F3N3O2S/c1-3-25-17-11-10-16(29(27,28)20(21,22)23)14-18(17)26(4-2)19(25)12-13-24-15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3/p+1