(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-[2-(6-fluoranyl-1H-benzimidazol-2-yl)ethyl]-methyl-azanium

Systemtic Name: (3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-[2-(6-fluoranyl-1H-benzimidazol-2-yl)ethyl]-methyl-azanium Openeye Name: (3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-methyl-ammonium CAS Name: (3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-methylammonium IUPAC Name: (3-butyl-2-ethylsulfonylimidazol-4-yl)methyl-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-methylazanium Traditional Name: (3-butyl-2-esyl-imidazol-4-yl)methyl-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-methyl-ammonium Formula: C20H29FN5O2S+ MolecularWeight: 422.539963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)CCC2=NC3=C(N2)C=C(C=C3)F

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)CCC2=NC3=C(N2)C=C(C=C3)F

InChI

InChI=1S/C20H28FN5O2S/c1-4-6-10-26-16(13-22-20(26)29(27,28)5-2)14-25(3)11-9-19-23-17-8-7-15(21)12-18(17)24-19/h7-8,12-13H,4-6,9-11,14H2,1-3H3,(H,23,24)/p+1