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

Systemtic Name: 3-[3-(3-azanyl-2-phenyl-1-benzofuran-5-yl)-4-(trifluoromethylsulfonyl)thiophen-2-yl]propanoyl-methylidene-(5-methyl-2-propyl-1H-imidazol-4-yl)azanium Openeye Name: 3-[3-(3-amino-2-phenyl-benzofuran-5-yl)-4-(trifluoromethylsulfonyl)-2-thienyl]propanoyl-methylene-(5-methyl-2-propyl-1H-imidazol-4-yl)ammonium CAS Name: [3-[3-(3-amino-2-phenyl-5-benzofuranyl)-4-(trifluoromethylsulfonyl)-2-thiophenyl]-1-oxopropyl]-methylene-(5-methyl-2-propyl-1H-imidazol-4-yl)ammonium IUPAC Name: 3-[3-(3-amino-2-phenyl-1-benzofuran-5-yl)-4-(trifluoromethylsulfonyl)thiophen-2-yl]propanoyl-methylidene-(5-methyl-2-propyl-1H-imidazol-4-yl)azanium Traditional Name: 3-[3-(3-amino-2-phenyl-benzofuran-5-yl)-4-triflyl-2-thienyl]propanoyl-methylene-(5-methyl-2-propyl-1H-imidazol-4-yl)ammonium Formula: C30H28F3N4O4S2+ MolecularWeight: 629.69293

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1)C)[N+](=C)C(=O)CCC2=C(C(=CS2)S(=O)(=O)C(F)(F)F)C3=CC4=C(C=C3)OC(=C4N)C5=CC=CC=C5

Isomeric SMILES

CCCC1=NC(=C(N1)C)[N+](=C)C(=O)CCC2=C(C(=CS2)S(=O)(=O)C(F)(F)F)C3=CC4=C(C=C3)OC(=C4N)C5=CC=CC=C5

InChI

InChI=1S/C30H28F3N4O4S2/c1-4-8-24-35-17(2)29(36-24)37(3)25(38)14-13-22-26(23(16-42-22)43(39,40)30(31,32)33)19-11-12-21-20(15-19)27(34)28(41-21)18-9-6-5-7-10-18/h5-7,9-12,15-16H,3-4,8,13-14,34H2,1-2H3,(H,35,36)/q+1