1-ethyl-3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]benzimidazole-2-thione

Systemtic Name: 1-ethyl-3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]benzimidazole-2-thione Openeye Name: 1-ethyl-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]benzimidazole-2-thione CAS Name: 1-ethyl-3-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-2-benzimidazolethione IUPAC Name: 1-ethyl-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]benzimidazole-2-thione Traditional Name: 1-ethyl-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]benzimidazole-2-thione Formula: C15H22N3OS+ MolecularWeight: 292.41968

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=S)C[NH+]3CCCC(C3)O

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=S)C[NH+]3CCC[C@H](C3)O

InChI

InChI=1S/C15H21N3OS/c1-2-17-13-7-3-4-8-14(13)18(15(17)20)11-16-9-5-6-12(19)10-16/h3-4,7-8,12,19H,2,5-6,9-11H2,1H3/p+1/t12-/m1/s1