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

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]-methyl-ammonium Formula: C21H28BrN4O3S+ MolecularWeight: 496.44102

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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=C(C=CC(=C3)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN4O3S/c1-4-5-10-26-19-8-7-17(30(23,27)28)12-18(19)24-21(26)14-25(2)13-15-11-16(22)6-9-20(15)29-3/h6-9,11-12H,4-5,10,13-14H2,1-3H3,(H2,23,27,28)/p+1