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

Systemtic Name: N-[(E)-2-[1,3-diethyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium-2-yl]ethenyl]-N-methyl-aniline Openeye Name: N-[(E)-2-[1,3-diethyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium-2-yl]vinyl]-N-methyl-aniline CAS Name: N-[(E)-2-[1,3-diethyl-5-(trifluoromethylsulfonyl)-2-benzimidazol-1-iumyl]ethenyl]-N-methylaniline IUPAC Name: N-[(E)-2-[1,3-diethyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium-2-yl]ethenyl]-N-methylaniline Traditional Name: [(E)-2-(1,3-diethyl-5-triflyl-benzimidazol-1-ium-2-yl)vinyl]-methyl-phenyl-amine Formula: C21H23F3N3O2S+ MolecularWeight: 438.48643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N3O2S/c1-4-26-18-12-11-17(30(28,29)21(22,23)24)15-19(18)27(5-2)20(26)13-14-25(3)16-9-7-6-8-10-16/h6-15H,4-5H2,1-3H3/q+1