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-methyl-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-methyl-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-methyl-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]-methyl-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-methyl-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-methyl-methylene-ammonium Formula: C30H28F3N4O4S2+ MolecularWeight: 629.69293

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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)C

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)C

InChI

InChI=1S/C30H28F3N4O4S2/c1-5-22-35-16(2)27(36-22)25-21(13-14-23(38)37(3)4)42-29(43(39,40)30(31,32)33)24(25)18-11-12-20-19(15-18)26(34)28(41-20)17-9-7-6-8-10-17/h6-12,15H,3,5,13-14,34H2,1-2,4H3,(H,35,36)/q+1