ethyl 1-ethyl-3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-2-sulfanylidene-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-2-sulfanylidene-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-2-thioxo-benzimidazole-5-carboxylate CAS Name: 1-ethyl-3-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-2-sulfanylidene-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-2-sulfanylidenebenzimidazole-5-carboxylate Traditional Name: 1-ethyl-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-2-thioxo-benzimidazole-5-carboxylic acid ethyl ester Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=S)C[NH+]3CCCC(C3)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=S)C[NH+]3CCC[C@H](C3)O

InChI

InChI=1S/C18H25N3O3S/c1-3-20-15-8-7-13(17(23)24-4-2)10-16(15)21(18(20)25)12-19-9-5-6-14(22)11-19/h7-8,10,14,22H,3-6,9,11-12H2,1-2H3/p+1/t14-/m1/s1