1,3-diethyl-2-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-1-ium iodide

Systemtic Name: 1,3-diethyl-2-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-1-ium iodide Openeye Name: 1,3-diethyl-2-methyl-5-(1-piperidylsulfonyl)benzimidazol-1-ium iodide CAS Name: 1,3-diethyl-2-methyl-5-(1-piperidinylsulfonyl)benzimidazol-1-ium iodide IUPAC Name: 1,3-diethyl-2-methyl-5-piperidin-1-ylsulfonylbenzimidazol-1-ium iodide Traditional Name: 1,3-diethyl-2-methyl-5-piperidinosulfonyl-benzimidazol-1-ium iodide Formula: C17H26IN3O2S MolecularWeight: 463.37671

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)CC)C.[I-]

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)CC)C.[I-]

InChI

InChI=1S/C17H26N3O2S.HI/c1-4-19-14(3)20(5-2)17-13-15(9-10-16(17)19)23(21,22)18-11-7-6-8-12-18;/h9-10,13H,4-8,11-12H2,1-3H3;1H/q+1;/p-1