ethyl (3R)-1-[[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[[5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H31N4O4S+ MolecularWeight: 423.54954

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCC[C@H](C3)C(=O)OCC

InChI

InChI=1S/C20H30N4O4S/c1-5-24-18-10-9-16(29(26,27)22(3)4)12-17(18)21-19(24)14-23-11-7-8-15(13-23)20(25)28-6-2/h9-10,12,15H,5-8,11,13-14H2,1-4H3/p+1/t15-/m1/s1