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

Systemtic Name: 1-methyl-3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]benzimidazole-2-thione Openeye Name: 1-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-3-methyl-benzimidazole-2-thione CAS Name: 1-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-3-methyl-2-benzimidazolethione IUPAC Name: 1-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-3-methylbenzimidazole-2-thione Traditional Name: 1-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-3-methyl-benzimidazole-2-thione Formula: C14H20N3OS+ MolecularWeight: 278.3931

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCCC(C3)O

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCC[C@H](C3)O

InChI

InChI=1S/C14H19N3OS/c1-15-12-6-2-3-7-13(12)17(14(15)19)10-16-8-4-5-11(18)9-16/h2-3,6-7,11,18H,4-5,8-10H2,1H3/p+1/t11-/m1/s1