2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1-ethyl-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 2-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-1-ethyl-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1-ethyl-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1-ethyl-5-piperidinosulfonyl-benzimidazole Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+]4CC(CC(C4)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+]4C[C@@H](C[C@H](C4)C)C

InChI

InChI=1S/C22H34N4O2S/c1-4-26-21-9-8-19(29(27,28)25-10-6-5-7-11-25)13-20(21)23-22(26)16-24-14-17(2)12-18(3)15-24/h8-9,13,17-18H,4-7,10-12,14-16H2,1-3H3/p+1/t17-,18-/m1/s1