N,N-diethyl-3-methyl-2-[tris(bromanyl)methylsulfonyl]-1H-benzimidazol-3-ium-5-carboxamide

Systemtic Name: N,N-diethyl-3-methyl-2-[tris(bromanyl)methylsulfonyl]-1H-benzimidazol-3-ium-5-carboxamide Openeye Name: N,N-diethyl-3-methyl-2-(tribromomethylsulfonyl)-1H-benzimidazol-3-ium-5-carboxamide CAS Name: N,N-diethyl-3-methyl-2-(tribromomethylsulfonyl)-1H-benzimidazol-3-ium-5-carboxamide IUPAC Name: N,N-diethyl-3-methyl-2-(tribromomethylsulfonyl)-1H-benzimidazol-3-ium-5-carboxamide Traditional Name: N,N-diethyl-3-methyl-2-(tribromomethylsulfonyl)-1H-benzimidazol-3-ium-5-carboxamide Formula: C14H17Br3N3O3S+ MolecularWeight: 547.08008

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)NC(=[N+]2C)S(=O)(=O)C(Br)(Br)Br

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)NC(=[N+]2C)S(=O)(=O)C(Br)(Br)Br

InChI

InChI=1S/C14H16Br3N3O3S/c1-4-20(5-2)12(21)9-6-7-10-11(8-9)19(3)13(18-10)24(22,23)14(15,16)17/h6-8H,4-5H2,1-3H3/p+1