1-ethyl-2-methyl-3-prop-2-enyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium

Systemtic Name: 1-ethyl-2-methyl-3-prop-2-enyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium Openeye Name: 3-allyl-1-ethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium CAS Name: 1-ethyl-2-methyl-3-prop-2-enyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium IUPAC Name: 1-ethyl-2-methyl-3-prop-2-enyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium Traditional Name: 3-allyl-1-ethyl-2-methyl-5-triflyl-benzimidazol-1-ium Formula: C14H16F3N2O2S+ MolecularWeight: 333.34925

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)S(=O)(=O)C(F)(F)F)CC=C)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)S(=O)(=O)C(F)(F)F)CC=C)C

InChI

InChI=1S/C14H16F3N2O2S/c1-4-8-19-10(3)18(5-2)12-7-6-11(9-13(12)19)22(20,21)14(15,16)17/h4,6-7,9H,1,5,8H2,2-3H3/q+1