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

Systemtic Name: 1-ethyl-5-piperidin-1-ylsulfonyl-3-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole-2-thione Openeye Name: 1-ethyl-5-(1-piperidylsulfonyl)-3-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole-2-thione CAS Name: 1-ethyl-5-(1-piperidinylsulfonyl)-3-(1-pyrrolidin-1-iumylmethyl)-2-benzimidazolethione IUPAC Name: 1-ethyl-5-piperidin-1-ylsulfonyl-3-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole-2-thione Traditional Name: 1-ethyl-5-piperidinosulfonyl-3-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole-2-thione Formula: C19H29N4O2S2+ MolecularWeight: 409.58916

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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+]4CCCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N(C1=S)C[NH+]4CCCC4

InChI

InChI=1S/C19H28N4O2S2/c1-2-22-17-9-8-16(27(24,25)21-12-4-3-5-13-21)14-18(17)23(19(22)26)15-20-10-6-7-11-20/h8-9,14H,2-7,10-13,15H2,1H3/p+1