ethyl 1-ethyl-3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-2-sulfanylidene-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-2-sulfanylidene-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-2-thioxo-benzimidazole-5-carboxylate CAS Name: 1-ethyl-3-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-2-sulfanylidene-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-2-sulfanylidenebenzimidazole-5-carboxylate Traditional Name: 1-ethyl-3-[(4-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+]3CCC(CC3)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=S)C[NH+]3CCC(CC3)O

InChI

InChI=1S/C18H25N3O3S/c1-3-20-15-6-5-13(17(23)24-4-2)11-16(15)21(18(20)25)12-19-9-7-14(22)8-10-19/h5-6,11,14,22H,3-4,7-10,12H2,1-2H3/p+1