(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-methyl-(p-tolylmethyl)ammonium CAS Name: (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-methyl-(4-methylbenzyl)ammonium Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c1-4-5-12-25-20-11-10-18(28(22,26)27)13-19(20)23-21(25)15-24(3)14-17-8-6-16(2)7-9-17/h6-11,13H,4-5,12,14-15H2,1-3H3,(H2,22,26,27)/p+1