4-[3-methyl-2-(2-piperidin-4-ylethyl)benzimidazol-5-yl]sulfanylbutanoic acid dihydrobromide

Systemtic Name: 4-[3-methyl-2-(2-piperidin-4-ylethyl)benzimidazol-5-yl]sulfanylbutanoic acid dihydrobromide Openeye Name: 4-[3-methyl-2-[2-(4-piperidyl)ethyl]benzimidazol-5-yl]sulfanylbutanoic acid dihydrobromide CAS Name: 4-[[3-methyl-2-[2-(4-piperidinyl)ethyl]-5-benzimidazolyl]thio]butanoic acid dihydrobromide IUPAC Name: 4-[3-methyl-2-(2-piperidin-4-ylethyl)benzimidazol-5-yl]sulfanylbutanoic acid dihydrobromide Traditional Name: 4-[[3-methyl-2-[2-(4-piperidyl)ethyl]benzimidazol-5-yl]thio]butyric acid dihydrobromide Formula: C19H29Br2N3O2S MolecularWeight: 523.32546

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)SCCCC(=O)O)N=C1CCC3CCNCC3.Br.Br

Isomeric SMILES

CN1C2=C(C=CC(=C2)SCCCC(=O)O)N=C1CCC3CCNCC3.Br.Br

InChI

InChI=1S/C19H27N3O2S.2BrH/c1-22-17-13-15(25-12-2-3-19(23)24)5-6-16(17)21-18(22)7-4-14-8-10-20-11-9-14;;/h5-6,13-14,20H,2-4,7-12H2,1H3,(H,23,24);2*1H