1-adamantyl-[[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl]azanium

Systemtic Name: 1-adamantyl-[[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl]azanium Openeye Name: 1-adamantyl-[[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl]ammonium CAS Name: 1-adamantyl-[[5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl]azanium Traditional Name: 1-adamantyl-[[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl]ammonium Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H34N4O2S/c1-4-7-27-21-6-5-19(30(28,29)26(2)3)11-20(21)25-22(27)15-24-23-12-16-8-17(13-23)10-18(9-16)14-23/h5-6,11,16-18,24H,4,7-10,12-15H2,1-3H3/p+1