(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]-methyl-azanium Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]-methyl-ammonium CAS Name: (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl-[(2-methoxyphenyl)methyl]-methylammonium IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]-methylazanium Traditional Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-methyl-o-anisyl-ammonium Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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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=CC=C3OC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](C)CC3=CC=CC=C3OC

InChI

InChI=1S/C21H28N4O3S/c1-4-5-12-25-19-11-10-17(29(22,26)27)13-18(19)23-21(25)15-24(2)14-16-8-6-7-9-20(16)28-3/h6-11,13H,4-5,12,14-15H2,1-3H3,(H2,22,26,27)/p+1