(3S)-1-[[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[1-butyl-5-(diethylsulfamoyl)-2-benzimidazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C22H36N5O3S+ MolecularWeight: 450.61794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1C[NH+]3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C22H35N5O3S/c1-4-7-13-27-20-11-10-18(31(29,30)26(5-2)6-3)14-19(20)24-21(27)16-25-12-8-9-17(15-25)22(23)28/h10-11,14,17H,4-9,12-13,15-16H2,1-3H3,(H2,23,28)/p+1/t17-/m0/s1