3-butyl-1-ethyl-N,N,2-trimethyl-benzimidazol-1-ium-5-sulfonamide iodide

Systemtic Name: 3-butyl-1-ethyl-N,N,2-trimethyl-benzimidazol-1-ium-5-sulfonamide iodide Openeye Name: 3-butyl-1-ethyl-N,N,2-trimethyl-benzimidazol-1-ium-5-sulfonamide iodide CAS Name: 3-butyl-1-ethyl-N,N,2-trimethyl-5-benzimidazol-1-iumsulfonamide iodide IUPAC Name: 3-butyl-1-ethyl-N,N,2-trimethylbenzimidazol-1-ium-5-sulfonamide iodide Traditional Name: 3-butyl-1-ethyl-N,N,2-trimethyl-benzimidazol-1-ium-5-sulfonamide iodide Formula: C16H26IN3O2S MolecularWeight: 451.36601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=[N+](C2=C1C=C(C=C2)S(=O)(=O)N(C)C)CC)C.[I-]

Isomeric SMILES

CCCCN1C(=[N+](C2=C1C=C(C=C2)S(=O)(=O)N(C)C)CC)C.[I-]

InChI

InChI=1S/C16H26N3O2S.HI/c1-6-8-11-19-13(3)18(7-2)15-10-9-14(12-16(15)19)22(20,21)17(4)5;/h9-10,12H,6-8,11H2,1-5H3;1H/q+1;/p-1