(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[(3,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl-[(3,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl-[(3,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-methyl-veratryl-ammonium Formula: C22H31N4O4S+ MolecularWeight: 447.57094

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4S/c1-5-6-11-26-19-9-8-17(31(23,27)28)13-18(19)24-22(26)15-25(2)14-16-7-10-20(29-3)21(12-16)30-4/h7-10,12-13H,5-6,11,14-15H2,1-4H3,(H2,23,27,28)/p+1