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

Systemtic Name: 5-nitro-3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1-phenyl-benzimidazole-2-thione Openeye Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-nitro-1-phenyl-benzimidazole-2-thione CAS Name: 3-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-nitro-1-phenyl-2-benzimidazolethione IUPAC Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-nitro-1-phenylbenzimidazole-2-thione Traditional Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-nitro-1-phenyl-benzimidazole-2-thione Formula: C19H21N4O3S+ MolecularWeight: 385.46004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=S)C4=CC=CC=C4)O

Isomeric SMILES

C1C[C@H](C[NH+](C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=S)C4=CC=CC=C4)O

InChI

InChI=1S/C19H20N4O3S/c24-16-7-4-10-20(12-16)13-21-18-11-15(23(25)26)8-9-17(18)22(19(21)27)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16,24H,4,7,10,12-13H2/p+1/t16-/m1/s1