(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[(3-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-m-anisyl-methyl-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=C3)OC

Isomeric SMILES

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

InChI

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