(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C21H28FN4O3S+ MolecularWeight: 435.535423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](C)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](C)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H27FN4O3S/c1-4-5-10-26-19-8-7-16(30(23,27)28)12-18(19)24-21(26)14-25(2)13-15-6-9-20(29-3)17(22)11-15/h6-9,11-12H,4-5,10,13-14H2,1-3H3,(H2,23,27,28)/p+1