(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-methyl-(2-phenoxyethyl)azanium

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-methyl-(2-phenoxyethyl)azanium Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-methyl-(2-phenoxyethyl)ammonium CAS Name: (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl-methyl-(2-phenoxyethyl)ammonium IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl-methyl-(2-phenoxyethyl)azanium Traditional Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-methyl-(2-phenoxyethyl)ammonium Formula: C21H29N4O3S+ MolecularWeight: 417.54496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](C)CCOC3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](C)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3S/c1-3-4-12-25-20-11-10-18(29(22,26)27)15-19(20)23-21(25)16-24(2)13-14-28-17-8-6-5-7-9-17/h5-11,15H,3-4,12-14,16H2,1-2H3,(H2,22,26,27)/p+1