2-(azocan-1-ium-1-ylmethyl)-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-1-ethyl-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 2-(1-azocan-1-iumylmethyl)-1-ethyl-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-1-ethyl-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-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+]4CCCCCCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+]4CCCCCCC4

InChI

InChI=1S/C22H34N4O2S/c1-2-26-21-12-11-19(29(27,28)25-15-9-6-10-16-25)17-20(21)23-22(26)18-24-13-7-4-3-5-8-14-24/h11-12,17H,2-10,13-16,18H2,1H3/p+1