1,3-diethyl-2-methyl-benzimidazol-1-ium-5-sulfonamide iodide

Systemtic Name: 1,3-diethyl-2-methyl-benzimidazol-1-ium-5-sulfonamide iodide Openeye Name: 1,3-diethyl-2-methyl-benzimidazol-1-ium-5-sulfonamide iodide CAS Name: 1,3-diethyl-2-methyl-5-benzimidazol-1-iumsulfonamide iodide IUPAC Name: 1,3-diethyl-2-methylbenzimidazol-1-ium-5-sulfonamide iodide Traditional Name: 1,3-diethyl-2-methyl-benzimidazol-1-ium-5-sulfonamide iodide Formula: C12H18IN3O2S MolecularWeight: 395.25969

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C=C2)S(=O)(=O)N)CC)C.[I-]

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C=C2)S(=O)(=O)N)CC)C.[I-]

InChI

InChI=1S/C12H18N3O2S.HI/c1-4-14-9(3)15(5-2)12-8-10(18(13,16)17)6-7-11(12)14;/h6-8H,4-5H2,1-3H3,(H2,13,16,17);1H/q+1;/p-1