(2S)-1-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]piperidin-1-ium-2-carboxamide Formula: C21H32N5O3S+ MolecularWeight: 434.57548

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+]4CCCCC4C(=O)N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+]4CCCC[C@H]4C(=O)N

InChI

InChI=1S/C21H31N5O3S/c1-2-26-18-10-9-16(30(28,29)25-12-5-3-6-13-25)14-17(18)23-20(26)15-24-11-7-4-8-19(24)21(22)27/h9-10,14,19H,2-8,11-13,15H2,1H3,(H2,22,27)/p+1/t19-/m0/s1