3-[4-(3-azanyl-2-phenyl-1-benzofuran-5-yl)-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)-5-(trifluoromethylsulfonyl)thiophen-2-yl]propanoyl-ethyl-methylidene-azanium

Systemtic Name: 3-[4-(3-azanyl-2-phenyl-1-benzofuran-5-yl)-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)-5-(trifluoromethylsulfonyl)thiophen-2-yl]propanoyl-ethyl-methylidene-azanium Openeye Name: 3-[4-(3-amino-2-phenyl-benzofuran-5-yl)-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)-5-(trifluoromethylsulfonyl)-2-thienyl]propanoyl-ethyl-methylene-ammonium CAS Name: [3-[4-(3-amino-2-phenyl-5-benzofuranyl)-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)-5-(trifluoromethylsulfonyl)-2-thiophenyl]-1-oxopropyl]-ethyl-methyleneammonium IUPAC Name: 3-[4-(3-amino-2-phenyl-1-benzofuran-5-yl)-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)-5-(trifluoromethylsulfonyl)thiophen-2-yl]propanoyl-ethyl-methylideneazanium Traditional Name: 3-[4-(3-amino-2-phenyl-benzofuran-5-yl)-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)-5-triflyl-2-thienyl]propanoyl-ethyl-methylene-ammonium Formula: C31H30F3N4O4S2+ MolecularWeight: 643.71951

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)C2=C(SC(=C2C3=CC4=C(C=C3)OC(=C4N)C5=CC=CC=C5)S(=O)(=O)C(F)(F)F)CCC(=O)[N+](=C)CC

Isomeric SMILES

CCC1=NC(=C(N1)C)C2=C(SC(=C2C3=CC4=C(C=C3)OC(=C4N)C5=CC=CC=C5)S(=O)(=O)C(F)(F)F)CCC(=O)[N+](=C)CC

InChI

InChI=1S/C31H30F3N4O4S2/c1-5-23-36-17(3)28(37-23)26-22(14-15-24(39)38(4)6-2)43-30(44(40,41)31(32,33)34)25(26)19-12-13-21-20(16-19)27(35)29(42-21)18-10-8-7-9-11-18/h7-13,16H,4-6,14-15,35H2,1-3H3,(H,36,37)/q+1