1-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]piperidin-1-ium-4-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+]4CCC(CC4)C(=O)N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+]4CCC(CC4)C(=O)N

InChI

InChI=1S/C21H31N5O3S/c1-2-26-19-7-6-17(30(28,29)25-10-4-3-5-11-25)14-18(19)23-20(26)15-24-12-8-16(9-13-24)21(22)27/h6-7,14,16H,2-5,8-13,15H2,1H3,(H2,22,27)/p+1