1-ethyl-3-(piperidin-1-ium-1-ylmethyl)-5-piperidin-1-ylsulfonyl-benzimidazole-2-thione

Systemtic Name: 1-ethyl-3-(piperidin-1-ium-1-ylmethyl)-5-piperidin-1-ylsulfonyl-benzimidazole-2-thione Openeye Name: 1-ethyl-3-(piperidin-1-ium-1-ylmethyl)-5-(1-piperidylsulfonyl)benzimidazole-2-thione CAS Name: 1-ethyl-3-(1-piperidin-1-iumylmethyl)-5-(1-piperidinylsulfonyl)-2-benzimidazolethione IUPAC Name: 1-ethyl-3-(piperidin-1-ium-1-ylmethyl)-5-piperidin-1-ylsulfonylbenzimidazole-2-thione Traditional Name: 1-ethyl-3-(piperidin-1-ium-1-ylmethyl)-5-piperidinosulfonyl-benzimidazole-2-thione Formula: C20H31N4O2S2+ MolecularWeight: 423.61574

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N(C1=S)C[NH+]4CCCCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N(C1=S)C[NH+]4CCCCC4

InChI

InChI=1S/C20H30N4O2S2/c1-2-23-18-10-9-17(28(25,26)22-13-7-4-8-14-22)15-19(18)24(20(23)27)16-21-11-5-3-6-12-21/h9-10,15H,2-8,11-14,16H2,1H3/p+1